SCHEMBL629800

SCHEMBL629800

CNCCC1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.68
CYP1A2 P05177 1/20 0.48
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.39
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HPGD P15428 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
SCHEMBL19355233 1.00 SIGMAR1 (0.68) SIGMAR1CYP1A2EPHX1MEN1KMT2A
SCHEMBL16520915 1.00 SIGMAR1 (0.68) SIGMAR1CYP1A2EPHX1MEN1KMT2A
SCHEMBL22838527 1.00 SIGMAR1 (0.68) SIGMAR1CYP1A2EPHX1MEN1KMT2A
SCHEMBL22341229 1.00 SIGMAR1 (0.68) SIGMAR1CYP1A2EPHX1MEN1KMT2A
SCHEMBL22520986 1.00 SIGMAR1 (0.68) SIGMAR1CYP1A2EPHX1MEN1KMT2A
Hydrochloric Acid SCHEMBL2192001 0.97 SIGMAR1 (0.65) SIGMAR1CYP1A2EPHX1MEN1KMT2A
SCHEMBL1680312 0.97
SCHEMBL919693 0.92
Methylamine SCHEMBL28480964 0.90 SIGMAR1 (0.57) SIGMAR1CYP1A2EPHX1MEN1KMT2A
SCHEMBL17919936 0.86 SIGMAR1 (0.50) SIGMAR1CYP1A2EPHX1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 EP claimed
US-9233964-B2 Sulfamide piperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use therof LEO PHARMA A/S (DK) 2016-01-12 US claimed
US-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-12-26 US claimed
EP-2661436-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-11-13 EP claimed
WO-2012093169-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-07-12 WO claimed
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 US claimed
WO-2002012166-A2 TRIAMINE DERIVATIVE MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME LION BIOSCIENCE AG (DE) 2002-02-14 WO claimed
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed
WO-2023086495-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2023-05-19 WO disclosed
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
US-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF AILERON THERAPEUTICS, INC. 2023-04-27 US disclosed
US-20230119612-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-04-20 US disclosed
EP-3344275-B1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS INC (US) 2023-03-08 EP disclosed
EP-0861244-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997018201-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 WO disclosed
EP-0271013-B1 BASIC SUBSTITUTED PHENYL ACETONITRILES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM BASF Aktiengesellschaft (DE) 1993-06-09 EP disclosed
US-4940780-A CARDIOVASCULAR DISORDERS, ASTHMA, ULCERS BASF AKTIENGESELLSCHAFT (DE) 1990-07-10 US disclosed
EP-0271013-A2 Basic substituted phenyl acetonitriles, their preparation and medicaments containing them BASF Aktiengesellschaft (DE) 1988-06-15 EP disclosed
EP-0132542-B1 HYDROHALOGENATION OF CONJUGATED DIENES IN THE PRESENCE OF ORGANIC AMINES Union Camp Corporation (US) 1986-10-08 EP disclosed
EP-0132542-A1 Hydrohalogenation of conjugated dienes in the presence of organic amines Union Camp Corporation (US) 1985-02-13 EP 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 (3 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-20230127248-A1 PEPTIDOMIMETIC MACROCYCLES AND FORMULATIONS THEREOF MDM2, TP53, TP53BP1 SIGMAR1 4713/4885CYP1A2 4431/4885EPHX1 4090/4885
US-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS JAK1, CNKSR1, TSHR SIGMAR1 1188/4885CYP1A2 812/4885EPHX1 2026/4885
US-20230119612-A1 PEPTIDOMIMETIC MACROCYCLES TP53, MDM2, MDM4 SIGMAR1 4880/4885CYP1A2 4694/4885EPHX1 3540/4885

“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.