SCHEMBL172079

SCHEMBL172079

O=C(NCc1ccc(Cl)cc1)C1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
SLC13A5 Q86YT5 1/20 0.58
MAPT P10636 1/20 0.56
KMT2A Q03164 3/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
HTR2C P28335 1/20 0.54
EPHX2 P34913 1/20 0.54
MEN1 O00255 2/20 0.53
POLB P06746 1/20 0.53
USP2 O75604 1/20 0.53
HPGD P15428 1/20 0.53

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
Hydrochloric Acid SCHEMBL30164247 0.98 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2SLC13A5MAPTKMT2A
Hydrochloric Acid SCHEMBL655020 0.90 HTR2C (0.64) ALDH1A1SMN1; SMN2SLC13A5MAPTKMT2A
SCHEMBL11296859 0.89 MAPT (0.68) ALDH1A1SLC13A5MAPTKMT2AMEN1
SCHEMBL4037264 0.85 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2SLC13A5MAPTKMT2A
SCHEMBL13745651 0.85 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2KMT2AHTR2CMEN1
SCHEMBL13746002 0.85 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MAPTKMT2AHTR2C
SCHEMBL526330 0.84 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2CHRM1CHRM3HTR2C
SCHEMBL14420046 0.84 HDAC6 (0.67) ALDH1A1SLC13A5MAPTKMT2AMEN1
SCHEMBL30298771 0.84 CHRM1 (0.65) ALDH1A1SMN1; SMN2KMT2ACHRM1CHRM3
Hydrochloric Acid SCHEMBL6479155 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2SLC13A5MAPTKMT2A

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
WO-2025015167-A2 ERASTIN KETONE ANALOGS AND USES THEREOF EXARTA THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed
US-8791111-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791111-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8754097-B2 Piperidine and piperazine derivatives MERCK PATENT GMBH (DE) 2014-06-17 US disclosed
EP-2426106-B1 Piperidine and Piperazine derivatives for the treatment of tumours MERCK PATENT GMBH (DE) 2013-07-31 EP disclosed
US-20120316162-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
EP-2426106-A1 Piperidine and Piperazine derivatives for the treatment of tumours Merck Patent GmbH (DE) 2012-03-07 EP disclosed
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HARTUNG (DE) 2010-09-02 US disclosed
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HARTUNG (DE) 2010-09-02 US disclosed
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed
WO-2009046841-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES FOR TREATING TUMOURS MERCK PATENT GMBH (DE) 2009-04-16 WO disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 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-20120316162-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES CCND2, CCND1, TPD52L2 ALDH1A1 389/4885SMN1; SMN2 2584/4885SLC13A5 4100/4885
US-20100222341-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES CCND2, CCND1, TPD52L2 ALDH1A1 389/4885SMN1; SMN2 2584/4885SLC13A5 4100/4885

“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.