SCHEMBL906077

SCHEMBL906077

FC(F)(F)c1ccc(N2CCNCC2)nc1Cl

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.97
HTR3E A5X5Y0 3/20 0.51
HTR3B O95264 3/20 0.51
HTR3A P46098 3/20 0.51
HTR3D Q70Z44 3/20 0.51
HTR3C Q8WXA8 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 4/20 0.51
CYP2C9 P11712 2/20 0.51
BPTF Q12830 1/20 0.49
ADRB1 P08588 3/20 0.47
EPHX2 P34913 1/20 0.47
HTR2C P28335 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 2/20 0.46
HTR1A P08908 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL29388809 1.00 ADRB2 (0.97) ADRB2HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL5585896 0.98 ADRB2 (1.00) ADRB2HTR3EHTR3BHTR3AHTR3D
Tert-Butyl Formate SCHEMBL27809039 0.87 ADRB2 (0.74) ADRB2HTR3EHTR3BHTR3AHTR3D
SCHEMBL23779626 0.84 ADRB2 (0.70) ADRB2ALDH1A1CYP1A2MAPK1HTT
SCHEMBL12780912 0.84 ADRB2 (0.70) ADRB2ALDH1A1CYP1A2MAPK1HTT
SCHEMBL12763838 0.81 ADRB2 (0.67) ADRB2CYP1A2LCATCXCR3
SCHEMBL5585596 0.80 ADRB2 (0.65) ADRB2ALDH1A1HTR2CLCATCXCR3
SCHEMBL5585785 0.80 ADRB2 (0.65) ADRB2ALDH1A1HTR2CLCATCXCR3
SCHEMBL5585598 0.80 ADRB2 (0.65) ADRB2ALDH1A1HTR2CLCATCXCR3
SCHEMBL25390151 0.80 ADRB2 (0.65) ADRB2CYP1A2CYP2C9CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014195695-A1 THERAPEUTIC COMBINATIONS CAMBRIDGE ENTERPRISE LIMITED (GB) 2014-12-11 WO claimed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US claimed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP claimed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US claimed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP claimed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US claimed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO claimed
US-20040038985-A1 Crystal forms of 1- [6-chloro-5-(trifluoromethly) -2-pyridinyl] piperazine hydrochloride AKZO NOBEL N.V. (NL) 2004-02-26 US claimed
EP-1326837-A1 CRYSTAL FORMS OF 1- 6-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINE.HYDROCHLORIDE Akzo Nobel N.V. (NL) 2003-07-16 EP claimed
US-20030040519-A1 Use of serotonergic compound for a method of treatment of hot flushes in post-menopausal women AKZO NOBEL N.V. (NL) 2003-02-27 US claimed
US-20030032646-A1 Use of serotonergic compound for a method of treatment of hot flushes in post-menopausal women N.V. ORGANON (NL) 2003-02-13 US claimed
US-20020103206-A1 Serotonergic compound for a method of treatment of hot flushes in post-menopausal women N.V. ORGANON (NL) 2002-08-01 US claimed
EP-1213017-A2 Use of a 5-HT2C receptor agonist for the treatment of hot flushes Akzo Nobel N.V. (NL) 2002-06-12 EP claimed
WO-2002030902-A1 CRYSTAL FORMS OF 1-[6-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINE.HYDROCHLORIDE AKZO NOBEL N.V. (NL) 2002-04-18 WO claimed
WO-1998033504-A1 TREATMENT OF URINARY INCONTINENCE AKZO NOBEL N.V. (NL) 1998-08-06 WO claimed
EP-0370560-B1 Pharmaceutical composition containing 1-[mono- or bis (trifluoromethyl)-2-pyridinyl] piperazines AKZO NV (NL) 1994-01-12 EP claimed
US-4971969-A NERVOUS SYSTEM DISORDERS AKZO N.V. (NL) 1990-11-20 US claimed
EP-0370560-A1 Pharmaceutical composition containing 1-[mono- or bis (trifluoromethyl)-2-pyridinyl] piperazines Akzo Nobel N.V. (NL) 1990-05-30 EP claimed
US-20240226110-A1 5-HT2C AGONIST FOR USE IN TREATING CONDITIONS ASSOCIATED WITH CENTRAL HYPOVENTILATION APNIMED, INC. (DELAWARE) 2024-07-11 US disclosed
WO-1998033504-A1 TREATMENT OF URINARY INCONTINENCE AKZO NOBEL N.V. (NL) 1998-08-06 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 (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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C ADRB2 14/4885HTR3E 13/4885HTR3B 5/4885
US-20040038985-A1 Crystal forms of 1- [6-chloro-5-(trifluoromethly) -2-pyridinyl] piperazine hydrochloride HTR5A, HTR1B, SEC62 ADRB2 624/4885HTR3E 68/4885HTR3B 10/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C ADRB2 14/4885HTR3E 13/4885HTR3B 5/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C ADRB2 14/4885HTR3E 13/4885HTR3B 5/4885
US-20240226110-A1 5-HT2C AGONIST FOR USE IN TREATING CONDITIONS ASSOCIATED WITH CENTRAL HYPOVENTILATION HTR2C, HTR5A, HTR1A ADRB2 32/4885HTR3E 12/4885HTR3B 6/4885

“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.