SCHEMBL4528693

SCHEMBL4528693

NCCNC(=O)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.66
GAA P10253 2/20 0.66
ATM Q13315 1/20 0.64
TRPV1 Q8NER1 2/20 0.62
CNR1 P21554 1/20 0.62
ALDH1A1 P00352 6/20 0.60
KCNH2 Q12809 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA5A P35218 2/20 0.56
CA7 P43166 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.54
EPHX2 P34913 1/20 0.53
RAB9A P51151 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 SCHEMBL5023736 0.98 HPGD (0.64) HPGDGAAATMTRPV1CNR1
Ammonia Solution, Strong SCHEMBL9177723 0.98 HPGD (0.64) HPGDGAAATMTRPV1CNR1
SCHEMBL11288372 0.93 HPGD (0.58) HPGDGAAATMTRPV1CNR1
Trifluoroacetic Acid SCHEMBL322111 0.90 HPGD (0.55) HPGDGAAATMTRPV1CNR1
SCHEMBL12081800 0.90 HPGD (0.53) HPGDGAAATMTRPV1CNR1
SCHEMBL2818522 0.89 HPGD (0.72) HPGDGAAATMTRPV1CNR1
Hydrochloric Acid SCHEMBL5015573 0.87 HPGD (0.70) HPGDGAAATMTRPV1CNR1
Ammonia Solution, Strong SCHEMBL9177687 0.84 TRPV1 (0.71) HPGDGAAATMTRPV1CNR1
SCHEMBL10585628 0.84 TRPV1 (0.83) HPGDGAAATMTRPV1CNR1
SCHEMBL14198712 0.83 TRPV1 (0.56) HPGDGAAATMTRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US claimed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US claimed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US claimed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US claimed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP claimed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP claimed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US claimed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO claimed
US-4003791-A PENICILLIN, HIGH-ASH SUCROSE SYRUP AMSTAR CORPORATION (US) 1977-01-18 US claimed
US-20240025923-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS INC (US) 2024-01-25 US disclosed
US-11739101-B2 Bifunctional degraders of hematopoietic progenitor kinase and therapeutic uses thereof NURIX THERAPEUTICS, INC. (US) 2023-08-29 US disclosed
US-20210355140-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF GILEAD SCIENCES, INC. 2021-11-18 US disclosed
EP-0000809-B1 ANTI-INFLAMMATORY 1-PHENYLETHANOLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-04-14 EP disclosed
EP-0000809-A1 Anti-inflammatory 1-phenylethanolamine derivatives, pharmaceutical compositions thereof and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-02-21 EP disclosed
US-4117157-A TREATMENT OF CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-26 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 (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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R HPGD 614/4885GAA 805/4885ATM 4721/4885
US-11739101-B2 Bifunctional degraders of hematopoietic progenitor kinase and therapeutic uses thereof TTK, HIPK1, HIPK2 HPGD 2565/4885GAA 2167/4885ATM 990/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R HPGD 614/4885GAA 805/4885ATM 4721/4885
US-20210355140-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF TTK, HIPK1, HIPK2 HPGD 2565/4885GAA 2167/4885ATM 990/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R HPGD 608/4885GAA 473/4885ATM 4665/4885
US-20240025923-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF TTK, HIPK1, HIPK2 HPGD 2565/4885GAA 2167/4885ATM 990/4885

“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.