SCHEMBL1828877

SCHEMBL1828877

c1ccc2c(c1)NCC21CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
KDM1A O60341 1/20 0.41
PDE7A Q13946 1/20 0.41
AVPR1A P37288 1/20 0.40
KCNH2 Q12809 1/20 0.37
HDAC1 Q13547 1/20 0.37
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 1/20 0.33
HTR2A P28223 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.32

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
SCHEMBL29384445 1.00 TNKS (0.45) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL29386699 0.98 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL21537943 0.98 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL20469127 0.98 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL1795624 0.98 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL29609239 0.96 TNKS (0.45) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL2260175 0.96 TNKS (0.45) TNKSTNKS2OPRM1OPRL1KDM1A
Hydrochloric Acid SCHEMBL16600202 0.94 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL29479467 0.91 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL1012828 0.91 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728136-B2 Such as 5-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-1,3-dihydro-2H-indol-2-one via coupling piperazine derivative with alkyl halide by heating in solvent free conditions LUPIN LIMITED (IN) 2010-06-01 US claimed
US-20070238877-A1 Novel Method for the Preparation of Aryl Piperazinyl-Heterocyclic Compounds LUPIN LIMITED (IN) 2007-10-11 US claimed
WO-2006011157-A2 METHODS FOR THE PREPARATION OF ARYL PIPERAZINYL-HETEROCYCLIC COMPOUNDS LUPIN LIMITED (IN) 2006-02-02 WO claimed
EP-0584903-B1 Process for preparing aryl piperazinyl-heterocyclic compounds PFIZER (US) 2001-10-04 EP claimed
US-5338846-A Process for preparing aryl piperazinyl-heterocyclic compounds with a piperazine salt PFIZER INC. (US) 1994-08-16 US claimed
EP-0584903-A1 Process for preparing aryl piperazinyl-heterocyclic compounds PFIZER INC. (US) 1994-03-02 EP claimed
EP-0281309-B1 PIPERAZINYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1991-12-27 EP claimed
US-20250171420-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME MONTE ROSA THERAPEUTICS AG (CH) 2025-05-29 US disclosed
EP-4540240-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME Monte Rosa Therapeutics AG (CH) 2025-04-23 EP disclosed
US-20240351984-A1 INDOLINE COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2024-10-24 US disclosed
US-12084420-B2 Indoline compounds for inhibiting KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2024-09-10 US disclosed
EP-4392407-A1 SPIRO INDOLINE INHIBITORS OF KIF18A Volastra Therapeutics, Inc. (US) 2024-07-03 EP disclosed
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2024-01-25 US disclosed
EP-1029861-A1 Benzisothiazol-piperazinyl derivative and its use as neuroleptic PFIZER INC. (US) 2000-08-23 EP disclosed
US-5338846-A Process for preparing aryl piperazinyl-heterocyclic compounds with a piperazine salt PFIZER INC. (US) 1994-08-16 US disclosed
EP-0584903-A1 Process for preparing aryl piperazinyl-heterocyclic compounds PFIZER INC. (US) 1994-03-02 EP disclosed
US-5206366-A Process for preparing aryl piperazinyl-heterocyclic compounds PFIZER INC. (US) 1993-04-27 US disclosed
EP-0281309-B1 PIPERAZINYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1991-12-27 EP disclosed
US-4883795-A Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1989-11-28 US disclosed
US-4831031-A Aryl piperazinyl-(C2 or C4) alkylene heterocyclic compounds having neuroleptic activity PFIZER INC. (US) 1989-05-16 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 (5 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-20240351984-A1 INDOLINE COMPOUNDS FOR INHIBITING KIF18A KIF18A, KIF18B, KIF2C TNKS 337/4885TNKS2 250/4885OPRM1 4446/4885
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF ENTPD5, NT5E, ENTPD1 TNKS 222/4885TNKS2 354/4885OPRM1 3364/4885
US-20070238877-A1 Novel Method for the Preparation of Aryl Piperazinyl-Heterocyclic Compounds AQP1, AQP3, AQP4 TNKS 2057/4885TNKS2 2078/4885OPRM1 3202/4885
US-20250171420-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME PSMA1, CSNK1G1, CSNK1A1 TNKS 90/4885TNKS2 233/4885OPRM1 4240/4885
US-12084420-B2 Indoline compounds for inhibiting KIF18A KIF18A, KIF18B, KIF2C TNKS 352/4885TNKS2 252/4885OPRM1 4435/4885

“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.