SCHEMBL3725634

SCHEMBL3725634

CCOC(=O)c1cnn(-c2ncccn2)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
HPGD P15428 2/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 1/20 0.51
ALDH1A1 P00352 8/20 0.50
TSHR P16473 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
ALKBH1 Q13686 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PTGS2 P35354 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL10559723 0.85 ALKBH1 (0.47) RAB9ANPC1HPGDTP53ALDH1A1
SCHEMBL1334825 0.84 HPGD (0.74) RAB9ANPC1HPGDTP53HTT
SCHEMBL10557411 0.83 RAB9A (0.73) RAB9ANPC1HPGDTP53HTT
SCHEMBL10558820 0.83 RAB9A (0.55) RAB9ANPC1HPGDTP53HTT
SCHEMBL10525393 0.83 HPGD (0.53) RAB9ANPC1HPGDTP53HTT
SCHEMBL10554970 0.83 RAB9A (0.53) RAB9ANPC1HPGDTP53HTT
SCHEMBL2941393 0.83 HPGD (0.56) RAB9ANPC1HPGDTP53HTT
SCHEMBL10514603 0.82 TSHR (0.72) RAB9ANPC1HPGDTP53HTT
SCHEMBL10516013 0.81 HPGD (0.51) RAB9ANPC1HPGDTP53HTT
SCHEMBL15330228 0.81 RAB9A (0.53) RAB9ANPC1HPGDTP53HTT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 US disclosed
EP-2178865-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS Lundbeck, H., A/S (DK) 2010-04-28 EP disclosed
WO-2009012482-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS H.LUNDBECK A/S (DK) 2009-01-22 WO disclosed
WO-2009012482-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS H.LUNDBECK A/S (DK) 2009-01-22 WO disclosed
US-4881965-A CONTROLLING WILD OATS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-21 US 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 (2 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-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 RAB9A 718/4885NPC1 2237/4885HPGD 388/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 RAB9A 718/4885NPC1 2237/4885HPGD 388/4885

“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.