SCHEMBL5154669

SCHEMBL5154669

O=C(NCc1ccccc1)[C@H]1CCCN1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.77
HTR2B P41595 3/20 0.77
USP2 O75604 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
KDM4E B2RXH2 1/20 0.60
HDAC1 Q13547 3/20 0.58
CTSC P53634 1/20 0.57
MC4R P32245 2/20 0.56
GID4 Q8IVV7 1/20 0.55
HDAC3 O15379 2/20 0.53
HDAC2 Q92769 1/20 0.53
HTR2A P28223 1/20 0.51
DPP4 P27487 1/20 0.50
CACNA1G O43497 1/20 0.49

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
SCHEMBL1789145 1.00 HTR2C (0.77) HTR2CHTR2BUSP2ALDH1A1HPGD
SCHEMBL7874030 1.00 HTR2C (0.77) HTR2CHTR2BUSP2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7607289 0.98 HTR2C (0.75) HTR2CHTR2BUSP2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL18337901 0.98 HTR2C (0.75) HTR2CHTR2BUSP2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL4368425 0.98 HTR2C (0.75) HTR2CHTR2BUSP2ALDH1A1HPGD
SCHEMBL9469301 0.95 HTR2C (0.71) HTR2CHTR2BUSP2ALDH1A1HPGD
SCHEMBL9469302 0.95 HTR2C (0.71) HTR2CHTR2BUSP2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL18337653 0.94 HTR2C (0.70) HTR2CHTR2BUSP2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL3267987 0.94 HTR2C (0.70) HTR2CHTR2BUSP2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL18337654 0.94 HTR2C (0.70) HTR2CHTR2BUSP2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110240631-B Chiral isoindolone cyclopeptide derivative, preparation method and application thereof 哈尔滨师范大学 2023-02-17 CN disclosed
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 US disclosed
US-10793582-B2 Bicyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-10-06 US disclosed
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-08-01 US disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 US disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 US disclosed
EP-1745019-A1 NOVEL COMPOUNDS OF PROLINE AND MORPHOLINE DERIVATIVES PFIZER INC. (US) 2007-01-24 EP disclosed
US-20050261290-A1 Novel compounds of proline and morpholine derivatives CHENG HENGMIAO 2005-11-24 US disclosed
WO-2005108359-A1 NOVEL COMPOUNDS OF PROLINE AND MORPHOLINE DERIVATIVES PFIZER INC. (US) 2005-11-17 WO 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 (6 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-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HTR2C 3859/4885HTR2B 4587/4885USP2 2540/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HTR2C 3859/4885HTR2B 4587/4885USP2 2540/4885
US-20190233438-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND KAT2A, KAT7, KAT5 HTR2C 2785/4885HTR2B 3182/4885USP2 1046/4885
US-20050261290-A1 Novel compounds of proline and morpholine derivatives CYP11B1, HSD11B1, CYP11B2 HTR2C 406/4885HTR2B 609/4885USP2 3806/4885
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN HTR2C 208/4885HTR2B 28/4885USP2 2378/4885
US-10793582-B2 Bicyclic heterocyclic compound KAT2A, KAT7, KAT5 HTR2C 2687/4885HTR2B 3104/4885USP2 1248/4885

“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.