SCHEMBL217611

SCHEMBL217611

Cc1ccccc1N1CC[N]CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.60
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
AKR1C3 P42330 1/20 0.46
SLC18A3 Q16572 1/20 0.46
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
ATM Q13315 2/20 0.45
KMT2A Q03164 1/20 0.45
HTR7 P34969 2/20 0.44
TSHR P16473 1/20 0.44
AR P10275 2/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
HSD11B1 P28845 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4291189 0.84 ADRB1 (0.72) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL1447600 0.84 ADRB1 (0.62) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL329301 0.80 ADRB1 (0.67) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
Lithium SCHEMBL31448665 0.78 ADRB1 (0.64) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL31468714 0.78 ADRB1 (0.64) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2332676 0.78 ADRB1 (0.64) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL16446848 0.78 ADRB1 (0.64) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
Bromide SCHEMBL7300370 0.78 ADRB1 (0.64) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL21065768 0.78 ADRB1 (0.64) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL329640 0.78 ADRB1 (0.64) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981131-B2 Tricyclic compounds for the treatment of inflammatory disorders Piramal Enterprises Limited (IN) 2015-03-17 US claimed
EP-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 EP claimed
US-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Piramal Enterprises Limited (IN) 2011-01-13 US claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
EP-2051978-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
WO-2009016565-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2009-02-05 WO claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders ASTRAZENECA AB (SE) 2008-11-13 US claimed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 WO claimed
EP-0891976-B1 Novel cyclic ureas useful as antiarrhythmic and antifibrillatory agents PROCTER & GAMBLE PHARMA (US) 2002-10-16 EP claimed
US-6083945-A USEFUL IN TREATING HUMANS OR OTHER MAMMALS WITH CARDIAC ARRHYTHMIA AND/OR CARDIAC FIBRILLATION THE PROCTER & GAMBLE COMPANY (US) 2000-07-04 US claimed
EP-0598046-B1 CYCLIC UREAS USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMA (US) 1999-03-24 EP claimed
US-5691369-A CARDIOVASCULAR DISORDERS THE PROCTOR & GAMBLE COMPANY (US) 1997-11-25 US claimed
US-4569994-A Dibenzo[b,d]pyranyloxyaminopropanols PENNWALT CORPORATION 1986-02-11 US claimed
US-4556656-A HYPOTENSIVE, ANTIPSYCHOTIC, DIABETIC, AND ANALGESIC AGENTS THE UPJOHN COMPANY (US) 1985-12-03 US claimed
US-4105663-A HYPOTENSIVE, BLOCKING AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-08-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R ADRB1 136/4885ALDH1A1 1731/4885HPGD 24/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 ADRB1 1348/4885ALDH1A1 1159/4885HPGD 813/4885
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP ADRB1 4294/4885ALDH1A1 423/4885HPGD 327/4885
US-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS IL1R1, IL1B, IL1A ADRB1 271/4885ALDH1A1 1115/4885HPGD 1592/4885

“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.