SCHEMBL173343

SCHEMBL173343

Cn1nccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
CYP1A2 P05177 2/20 0.36
LRRK2 Q5S007 2/20 0.36
COMT P21964 1/20 0.36
METAP2 P50579 1/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.33
RAB9A P51151 1/20 0.33
CYP11B2 P19099 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
P2RX7 Q99572 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16962898 0.84 OXTR (0.36) OXTRAVPR1ACYP1A2LRRK2COMT
SCHEMBL15372303 0.84 OXTR (0.36) OXTRAVPR1ACYP1A2LRRK2COMT
SCHEMBL24050966 0.79 OXTR (0.33) OXTRAVPR1ACYP1A2LRRK2COMT
SCHEMBL2625504 0.78 COMT (0.38) OXTRAVPR1ACYP1A2COMTCYP3A4
SCHEMBL31595683 0.77 OXTR (0.32) OXTRAVPR1APKM
SCHEMBL22071582 0.74 COMT (0.35) OXTRAVPR1ACOMTRAB9AHTT
SCHEMBL18857343 0.74 COMT (0.35) COMTHTT
SCHEMBL19857578 0.74 COMT (0.35) CYP1A2COMTCYP2D6CYP2C19RAB9A
SCHEMBL31582246 0.74 HTT (0.36) OXTRAVPR1ACYP1A2CYP2D6CYP2C19
SCHEMBL15511960 0.74 NR3C2 (0.35) HTTKDM4EPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 122 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540131-B2 N-(heteroaryl) quinazolin-2-amine derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2026-02-03 US claimed
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US claimed
US-20230023066-A1 N-(HETEROARYL) QUINAZOLIN-2-AMINE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2023-01-26 US claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US claimed
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-04-11 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
CN-118955455-B Double-target piperine compound used as alpha-glucosidase inhibitor and aldose reductase inhibitor, and preparation method and application thereof 湘潭大学 2026-05-19 CN disclosed
US-12583851-B2 Heteroaryl-substituted pyrazine derivatives as pesticides ELANCO ANIMAL HEALTH GMBH (DE) 2026-03-24 US disclosed
US-12516039-B2 N-linked isoquinoline amides as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2026-01-06 US disclosed
US-12454523-B2 Pyrazole derivatives SYNGENTA CROP PROTECTION AG (CH) 2025-10-28 US disclosed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
CN-1030595-C Substituted aryl-haloalkyl-pyrazoles as herbicides MONSANTO CO (US) 1996-01-03 CN disclosed
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
EP-0468231-B1 Guanidins HOFFMANN LA ROCHE (CH) 1994-09-21 EP disclosed
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed
EP-0468231-A2 Guanidins F. HOFFMANN-LA ROCHE AG (CH) 1992-01-29 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12540131-B2 N-(heteroaryl) quinazolin-2-amine derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, PARK7, SNCA OXTR 1407/4885AVPR1A 2213/4885CYP1A2 3573/4885
US-12583851-B2 Heteroaryl-substituted pyrazine derivatives as pesticides CBR3, CYCS, CWC15 OXTR 2308/4885AVPR1A 3731/4885CYP1A2 314/4885
US-12454523-B2 Pyrazole derivatives RB1, NQO2, RBX1 OXTR 4516/4885AVPR1A 3539/4885CYP1A2 11/4885
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 OXTR 1466/4885AVPR1A 928/4885CYP1A2 2270/4885
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT OXTR 1578/4885AVPR1A 1521/4885CYP1A2 1048/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 OXTR 1466/4885AVPR1A 928/4885CYP1A2 2270/4885
US-20230023066-A1 N-(HETEROARYL) QUINAZOLIN-2-AMINE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, PARK7 OXTR 4450/4885AVPR1A 4266/4885CYP1A2 3178/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 OXTR 1466/4885AVPR1A 928/4885CYP1A2 2270/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 OXTR 1639/4885AVPR1A 1503/4885CYP1A2 1024/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 OXTR 1639/4885AVPR1A 1503/4885CYP1A2 1024/4885
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EIF2AK4, GCN1, GCGR OXTR 4787/4885AVPR1A 4308/4885CYP1A2 1905/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.