SCHEMBL2089398

SCHEMBL2089398

O=C(NCCc1ccccc1)[C@@H]1CCCN1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.60
HTR2B P41595 2/20 0.60
TAAR1 Q96RJ0 4/20 0.59
CTSC P53634 1/20 0.56
MC4R P32245 1/20 0.55
PRCP P42785 1/20 0.54
EPHX2 P34913 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
EPHX1 P07099 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL2089855 1.00 HTR2C (0.60) HTR2CHTR2BTAAR1CTSCMC4R
SCHEMBL2089397 1.00 HTR2C (0.60) HTR2CHTR2BTAAR1CTSCMC4R
Hydrochloric Acid SCHEMBL11095820 0.99 HTR2C (0.59) HTR2CHTR2BTAAR1CTSCMC4R
SCHEMBL24322439 0.96 TAAR1 (0.62) HTR2CHTR2BTAAR1CTSCMC4R
SCHEMBL18381212 0.96 TAAR1 (0.62) HTR2CHTR2BTAAR1CTSCMC4R
SCHEMBL10709444 0.93 MEN1 (0.60) HTR2CHTR2BTAAR1CTSCPRCP
SCHEMBL10706722 0.93 MEN1 (0.60) HTR2CHTR2BTAAR1CTSCPRCP
Hydrochloric Acid SCHEMBL11096519 0.92 MEN1 (0.62) HTR2CHTR2BTAAR1CTSCPRCP
SCHEMBL24322897 0.89 MEN1 (0.59) HTR2CHTR2BTAAR1PRCPEPHX2
SCHEMBL23532695 0.89 MEN1 (0.59) HTR2CHTR2BTAAR1PRCPEPHX2

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-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US claimed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US claimed
WO-2017035348-A1 ALKYNE COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 US disclosed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US disclosed
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-11-18 US disclosed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US disclosed
US-7662786-B2 oligopeptides; anticarcinogenic agent; good water solubility and cost effective; , B, D, E, F, G and K are alpha -amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as,an amino group, an N-substituted amino group, a beta -hydroxylamino group, an alkoxy group ABBOTT GMBH & CO. KG (DE) 2010-02-16 US disclosed
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 US disclosed
US-7084110-B2 Anticarcinogenic agents for treating cancer; pentapeptides, hexapeptides, heptapeptides, oligopeptides ABBOTT GMBH & CO., KG (DE) 2006-08-01 US disclosed
EP-0991658-B1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO KG (DE) 2005-12-28 EP disclosed
US-6458765-B1 POLYPEPTIDES AS ANTICANCER AGENTS AND AGAINST CELL PROLIFERATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
EP-0991658-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP disclosed
WO-1999003879-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-28 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 (4 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-20100099843-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO HTR2C 4563/4885HTR2B 3225/4885TAAR1 4109/4885
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC3, BIRC2 HTR2C 4764/4885HTR2B 4464/4885TAAR1 2301/4885
US-20060270606-A1 Dolastatin 15 derivatives DDOST, DBI, DAO HTR2C 4563/4885HTR2B 3225/4885TAAR1 4109/4885
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO HTR2C 4563/4885HTR2B 3225/4885TAAR1 4109/4885

“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.