SCHEMBL1023583

SCHEMBL1023583

O=C(C1CCc2[nH]cnc2C1)N1CCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 3/20 0.48
USP2 O75604 3/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CNR2 P34972 1/20 0.44
IDH1 O75874 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TFPI2 P48307 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1023584 1.00 TSHR (0.59) TSHRMAPTLMNAMAPK1HSD17B10
Hydrochloric Acid SCHEMBL1023299 0.99 TSHR (0.57) TSHRMAPTLMNAMAPK1HSD17B10
Hydrochloric Acid SCHEMBL9050997 0.99 TSHR (0.57) TSHRMAPTLMNAMAPK1HSD17B10
Fumaric Acid SCHEMBL9051209 0.94 TSHR (0.52) TSHRMAPTLMNAMAPK1HSD17B10
SCHEMBL8539574 0.91 TSHR (0.59) TSHRMAPTLMNAMAPK1HSD17B10
Hydrochloric Acid SCHEMBL30037316 0.90 TSHR (0.57) TSHRMAPTLMNAMAPK1HSD17B10
Hydrochloric Acid SCHEMBL9076705 0.90 TSHR (0.57) TSHRMAPTLMNAMAPK1HSD17B10
Fumaric Acid SCHEMBL9052770 0.88 POLB (0.52) TSHRMAPTLMNAMAPK1HSD17B10
Fumaric Acid SCHEMBL9051223 0.85 TSHR (0.52) TSHRMAPTLMNAMAPK1HSD17B10
SCHEMBL9050600 0.82 KEAP1 (0.55) TSHRMAPTLMNAMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2286817-A2 Method of treating functional bowel disorders Edusa Pharmaceuticals, Inc (US) 2011-02-23 EP claimed
EP-0993829-B1 TRANSDERMAL PREPARATION CONTAINING SEROTONIN RECEPTOR ANTAGONIST HISAMITSU PHARMACEUTICAL CO (JP) 2011-01-12 EP claimed
JP-2006522144-A 2006-09-28 JP claimed
JP-2006516977-A 2006-07-13 JP claimed
JP-2006516976-A 2006-07-13 JP claimed
EP-1558081-A4 METHOD OF TREATING FUNCTIONAL BOWEL DISORDERS DYNOGEN PHARMACEUTICALS INC (US) 2006-06-14 EP claimed
EP-1567163-A4 METHOD OF TREATING NAUSEA, VOMITING, RETCHING OR ANY COMBINATION THEREOF DYNOGEN PHARMACEUTICALS INC (US) 2006-01-18 EP claimed
EP-1539181-A4 METHOD OF TREATING LOWER URINARY TRACT DISORDERS DYNOGEN PHARMACEUTICALS INC (US) 2005-12-28 EP claimed
US-20050192270-A1 Methods of decreasing intestinal motility DYNOGEN PHARMACEUTICALS, INC. (US) 2005-09-01 US claimed
EP-1567163-A2 METHOD OF TREATING NAUSEA, VOMITING, RETCHING OR ANY COMBINATION THEREOF Dynogen Pharmaceuticals Inc. (US) 2005-08-31 EP claimed
WO-2004062623-A2 METHOD OF TREATING FUNCTIONAL BOWEL DISORDERS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-07-29 WO claimed
US-20040147509-A1 Method of treating functional bowel disorders DYNOGEN PHARMACEUTICALS, INC. 2004-07-29 US claimed
WO-2004062624-A2 METHOD OF TREATING NAUSEA, VOMITING, RETCHING OR ANY COMBINATION THEREOF DYNOGEN PHARMACEUTICALS, INC. (US) 2004-07-29 WO claimed
US-20040147510-A1 Method of treating nausea, vomiting, retching or any combination thereof DYNOGEN PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20040029972-A1 Combination treatment for depression HOWARD HARRY R (US) 2004-02-12 US claimed
EP-1230921-A1 Combination treatment for depression Pfizer Products Inc. (US) 2002-08-14 EP claimed
US-20020107244-A1 An antidepressant formulation consists of a biphenoxy or binaphthelenoxy compound as antidepressant, a 5-HT3 receptor antagonist and a carrier PFIZER PRODUCTS INC. 2002-08-08 US claimed
EP-0381422-B1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-10-23 EP claimed
US-5344927-A 5-HT3 antagonist YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed
EP-0381422-A1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-08-08 EP 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 (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-20040147509-A1 Method of treating functional bowel disorders HTR3B, HTR3A, HTR5A TSHR 1998/4885MAPT 3639/4885LMNA 3254/4885
US-20020107244-A1 An antidepressant formulation consists of a biphenoxy or binaphthelenoxy compound as antidepressant, a 5-HT3 receptor antagonist and a carrier HTR3A, HTR3E, HTR4 TSHR 327/4885MAPT 3927/4885LMNA 3268/4885
US-20040029972-A1 Combination treatment for depression HTR3A, HTR5A, HTR6 TSHR 269/4885MAPT 2176/4885LMNA 2422/4885
US-20040147510-A1 Method of treating nausea, vomiting, retching or any combination thereof HTR3B, HTR3A, NTSR2 TSHR 541/4885MAPT 2975/4885LMNA 3938/4885
US-20050192270-A1 Methods of decreasing intestinal motility HTR3B, HTR3A, HTR5A TSHR 2267/4885MAPT 3592/4885LMNA 2686/4885

“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.