SCHEMBL894920

SCHEMBL894920

O=C(c1ccccc1)N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 1.00
HPGD P15428 3/20 0.66
RXFP1 Q9HBX9 1/20 0.59
CCNC P24863 2/20 0.58
CDK8 P49336 2/20 0.58
USP2 O75604 2/20 0.58
ALDH1A1 P00352 2/20 0.58
ACHE P22303 1/20 0.58
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA7 P36544 1/20 0.56
CHRNA4 P43681 1/20 0.56
BLM P54132 1/20 0.56
MAPK1 P28482 1/20 0.55
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL28393 1.00 SIGMAR1 (1.00) SIGMAR1HPGDRXFP1CCNCCDK8
Piperazine SCHEMBL28228981 0.98 SIGMAR1 (0.96) SIGMAR1HPGDRXFP1CCNCCDK8
Hydrochloric Acid SCHEMBL1597474 0.98 SIGMAR1 (0.96) SIGMAR1HPGDRXFP1CCNCCDK8
SCHEMBL9644712 0.98 SIGMAR1 (0.96) SIGMAR1HPGDRXFP1CCNCCDK8
Piperazine SCHEMBL27760905 0.96 SIGMAR1 (0.93) SIGMAR1HPGDRXFP1CCNCCDK8
Formic Acid SCHEMBL7986200 0.93 SIGMAR1 (0.86) SIGMAR1HPGDRXFP1CCNCCDK8
SCHEMBL3423662 0.93 SIGMAR1 (0.86) SIGMAR1HPGDRXFP1CCNCCDK8
SCHEMBL12344755 0.91 SIGMAR1 (0.83) SIGMAR1HPGDRXFP1CCNCCDK8
Nitric Acid SCHEMBL14695754 0.90 SIGMAR1 (0.81) SIGMAR1HPGDRXFP1CCNCCDK8
Pyridine SCHEMBL28123146 0.90 SIGMAR1 (0.81) SIGMAR1HPGDRXFP1CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683711-B1 NEW PYRIDAZINONE AND PYRIDONE COMPOUNDS BIOTIE THERAPIES CORP (FI) 2017-02-01 EP claimed
EP-1865949-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2012-11-14 EP claimed
US-4614739-A Oxindole derivatives, pharmaceutical compositions and use HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-30 US claimed
EP-0062887-B1 INDOLINONE-2 DERIVATIVES, PROCESS FOR THEIR PREPARATION AND NEURO-ANABOLIC MEDIUMS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-11 EP claimed
EP-0062887-A1 Indolinone-2 derivatives, process for their preparation and neuro-anabolic mediums containing them HOECHST AKTIENGESELLSCHAFT (DE) 1982-10-20 EP claimed
US-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-05-03 US disclosed
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-05 US disclosed
US-8067395-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2011-11-29 US disclosed
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2010-02-11 US disclosed
US-7625880-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2009-12-01 US disclosed
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2008-02-14 US disclosed
US-4614739-A Oxindole derivatives, pharmaceutical compositions and use HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-30 US disclosed
US-4542148-A 2-Oxo-3-phenyl indole derivatives, drugs having a neuroanabolic action containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1985-09-17 US disclosed
EP-0062887-B1 INDOLINONE-2 DERIVATIVES, PROCESS FOR THEIR PREPARATION AND NEURO-ANABOLIC MEDIUMS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-11 EP disclosed
EP-0062887-A1 Indolinone-2 derivatives, process for their preparation and neuro-anabolic mediums containing them HOECHST AKTIENGESELLSCHAFT (DE) 1982-10-20 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 (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-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC SIGMAR1 4271/4885HPGD 1544/4885RXFP1 4521/4885
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC SIGMAR1 4271/4885HPGD 1544/4885RXFP1 4521/4885
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC SIGMAR1 4271/4885HPGD 1544/4885RXFP1 4521/4885
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC SIGMAR1 4271/4885HPGD 1544/4885RXFP1 4521/4885
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC SIGMAR1 4271/4885HPGD 1544/4885RXFP1 4521/4885

“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.