SCHEMBL7535532

SCHEMBL7535532

CN(C)CCc1c[nH]cn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.34
TAAR1 Q96RJ0 3/20 0.34
HRH4 Q9H3N8 2/20 0.34
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
HTR1A P08908 2/20 0.33
HTR6 P50406 1/20 0.33
CHRNA7 P36544 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL16312420 0.88 NOS3 (0.41) HRH3HRH4HTR2AHTR2CHTR2B
SCHEMBL31157575 0.85 HRH4 (0.47) HRH3HRH4CYP1A2CYP2D6
SCHEMBL12847647 0.81 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL3379212 0.79
SCHEMBL3381880 0.79
SCHEMBL12790387 0.79 HTR3E (0.32) HTR2AHTR2CHTR2BHTR1AHTR6
Histamine SCHEMBL27890671 0.78 HRH4 (0.41) HRH3HRH4
SCHEMBL8300505 0.77 LMNA (0.32)
SCHEMBL326787 0.76
SCHEMBL5322896 0.75 HRH4 (0.32) HRH3HRH4

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-1203586-A2 Compositions comprising a mast cell degranulation-blocking agent for treatment of endogenous, painful gastrointestinal conditions of non-inflammatory, non-ulcerative origin. KOS PHARMACEUTICALS, INC. (US) 2002-05-08 EP claimed
US-5648355-A MAST CELL DEGRANULATION-BLOCK AGENTS KOS PHARMACEUTICAL, INC. (US) 1997-07-15 US claimed
EP-0748217-A1 COMPOSITIONS COMPRISING A MAST CELL DEGRANULATION-BLOCKING AGENT FOR TREATMENT OF ENDOGENOUS, PAINFUL GASTROINTESTINAL CONDITIONS OF NON-INFLAMMATORY, NON-ULCERATIVE ORIGIN KOS PHARMACEUTICALS, INC. (US) 1996-12-18 EP claimed
WO-1995021611-A2 COMPOSITIONS COMPRISING A MAST CELL DEGRANULATION-BLOCKING AGENT FOR TREATMENT OF ENDOGENOUS, PAINFUL GASTROINTESTINAL CONDITIONS OF NON-INFLAMMATORY, NON-ULCERATIVE ORIGIN KOS PHARMACEUTICALS, INC. (US) 1995-08-17 WO claimed
US-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-14 US disclosed
US-9006487-B2 Amine-containing lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-04-14 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-20110052673-A1 THERAPEUTIC COMPOSITIONS SHIRE HUMAN GENETIC THERAPIES, INC. 2011-03-03 US disclosed
US-20110009641-A1 Amine-containing lipids and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US disclosed
EP-1203586-A2 Compositions comprising a mast cell degranulation-blocking agent for treatment of endogenous, painful gastrointestinal conditions of non-inflammatory, non-ulcerative origin. KOS PHARMACEUTICALS, INC. (US) 2002-05-08 EP disclosed
US-6028095-A Treatment of inflammatory bowel disease using histamine H3 -receptor agonists WARNER-LAMBERT COMPANY (US) 2000-02-22 US disclosed
US-5648355-A MAST CELL DEGRANULATION-BLOCK AGENTS KOS PHARMACEUTICAL, INC. (US) 1997-07-15 US disclosed
EP-0748217-A1 COMPOSITIONS COMPRISING A MAST CELL DEGRANULATION-BLOCKING AGENT FOR TREATMENT OF ENDOGENOUS, PAINFUL GASTROINTESTINAL CONDITIONS OF NON-INFLAMMATORY, NON-ULCERATIVE ORIGIN KOS PHARMACEUTICALS, INC. (US) 1996-12-18 EP disclosed
WO-1995021611-A2 COMPOSITIONS COMPRISING A MAST CELL DEGRANULATION-BLOCKING AGENT FOR TREATMENT OF ENDOGENOUS, PAINFUL GASTROINTESTINAL CONDITIONS OF NON-INFLAMMATORY, NON-ULCERATIVE ORIGIN KOS PHARMACEUTICALS, INC. (US) 1995-08-17 WO disclosed
EP-0056025-A1 HEME CONCENTRATE AND METHOD FOR THE PREPARATION THEREOF. LINDROOS PAUL GORAN SIGVARD 1982-07-21 EP disclosed
WO-1981002834-A1 HEME CONCENTRATE AND METHOD FOR THE PREPARATION THEREOF LINDROOS P 1981-10-15 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 (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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS HRH3 4238/4885TAAR1 3752/4885HRH4 4303/4885
US-20110052673-A1 THERAPEUTIC COMPOSITIONS PHOSPHO1, SGMS1, APOB HRH3 914/4885TAAR1 547/4885HRH4 2136/4885
US-20110009641-A1 Amine-containing lipids and uses thereof PHOSPHO1, CHMP4B, SGMS1 HRH3 1075/4885TAAR1 549/4885HRH4 1681/4885
US-20160009657-A1 AMINE-CONTAINING LIPIDS AND USES THEREOF PHOSPHO1, CHMP4B, SGMS1 HRH3 1075/4885TAAR1 549/4885HRH4 1681/4885

“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.