SCHEMBL4516849

SCHEMBL4516849

COC(=O)c1ccccc1C1CNCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
SLC6A3 Q01959 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
CFTR P13569 1/20 0.41
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL30109175 0.82 PARP1 (0.44) SLC6A2SLC6A4TSHRSLC6A3ALDH1A1
SCHEMBL15203701 0.82 PARP1 (0.44) SLC6A2SLC6A4TSHRSLC6A3ALDH1A1
Acetic Acid SCHEMBL8435104 0.82 TSHR (0.48) SLC6A2SLC6A4TSHRLMNASLC6A3
SCHEMBL6965263 0.81 KDM4E (0.43) SLC6A2SLC6A4LMNASLC6A3ALDH1A1
SCHEMBL3254494 0.81 PARP1 (0.55) TSHRALDH1A1HSD17B10PARP1KDM4E
SCHEMBL4507582 0.80 PARP1 (0.41) SLC6A2SLC6A4SLC6A3PARP1KMT2A
SCHEMBL6965262 0.79 MAP2K1 (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1PARP1
SCHEMBL30488776 0.78 HTR2C (0.45) SLC6A2SLC6A4TSHRLMNA
SCHEMBL232835 0.78 HTR2C (0.45) SLC6A2SLC6A4TSHRLMNA
SCHEMBL30892887 0.78 SLC6A2 (0.54) SLC6A2SLC6A4KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023246677-A1 INDOLE-PHENYLPIPERIDINE COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 深圳信立泰药业股份有限公司 2023-12-28 WO disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 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 (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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R SLC6A2 401/4885SLC6A4 756/4885TSHR 271/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R SLC6A2 401/4885SLC6A4 756/4885TSHR 271/4885

“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.