SCHEMBL2927397

SCHEMBL2927397

CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
SIGMAR1 Q99720 4/20 0.69
HTR1A P08908 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
TSHR P16473 1/20 0.64
NFKB1 P19838 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2C19 P33261 1/20 0.64
THPO P40225 1/20 0.64
MTOR P42345 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
DRD2 P14416 5/20 0.62
HTR7 P34969 4/20 0.62
HTR3E A5X5Y0 1/20 0.57

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
Ammonia Solution, Strong SCHEMBL11284383 0.99 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2SIGMAR1HTR1ACYP1A2
SCHEMBL13875120 0.92 SIGMAR1 (0.69) ALDH1A1SMN1; SMN2SIGMAR1HTR1ACYP1A2
SCHEMBL13875122 0.90 SIGMAR1 (0.71) ALDH1A1SMN1; SMN2SIGMAR1HTR1ACYP1A2
SCHEMBL6926448 0.88 SIGMAR1 (0.64) ALDH1A1SMN1; SMN2SIGMAR1HTR1ACYP1A2
SCHEMBL11465528 0.88 SIGMAR1 (0.76) ALDH1A1SMN1; SMN2SIGMAR1HTR1ACYP1A2
SCHEMBL270823 0.87 DRD2 (0.64) ALDH1A1SMN1; SMN2SIGMAR1HTR1ACYP1A2
SCHEMBL2095954 0.85 SIGMAR1 (0.69) ALDH1A1SMN1; SMN2SIGMAR1HTR1ACYP1A2
SCHEMBL21669396 0.85 SIGMAR1 (0.69) ALDH1A1SMN1; SMN2SIGMAR1HTR1ACYP1A2
SCHEMBL8373462 0.85 SIGMAR1 (0.69) ALDH1A1SMN1; SMN2SIGMAR1HTR1ACYP1A2
SCHEMBL562405 0.85 SIGMAR1 (0.69) ALDH1A1SMN1; SMN2SIGMAR1HTR1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
US-RE46117-E1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2016-08-23 US disclosed
US-20160095855-A1 USE OF A POLYMORPH OF FLIBANSERIN FOR TREATING DISEASE PRZEDSIEBIORSTWO FARMACEUTYCZNE JELFA SPOLKA AKCYJNA (A/K/A PRZEDSIEBIORSTWO FARMACEUTYCZNE JELFA S.A.) (PL) 2016-04-07 US disclosed
US-20150005316-A1 USE OF A POLYMORPH OF FLIBANSERIN FOR TREATING DISEASE SPROUT PHARMACEUTICALS, INC. (US) 2015-01-01 US disclosed
US-20140031365-A1 USE OF A POLYMORPH OF FLIBANSERIN FOR TREATING DISEASE SPROUT PHARMACEUTICALS INC (US) 2014-01-30 US disclosed
US-20120270883-A1 USE OF A POLYMORPH OF FLIBANSERIN FOR TREATING DISEASE SPROUT PHARMACEUTICALS, INC. (US) 2012-10-25 US disclosed
EP-1428822-B1 1-phenylpiperazine derivative as modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-15 EP disclosed
US-RE41315-E1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DE) 2010-05-04 US disclosed
US-20090093493-A1 1-PHENYLALCOXY-2-BETA-PHENYLETHYL DERIVATIVES AS P-GLYCOPROTEIN (P-GP) INHIBITORS USEFUL IN DRUG RESISTANCE EVENTS UNIVERSITA DI PISA, 40% (IT) 2009-04-09 US disclosed
US-20090093493-A1 1-PHENYLALCOXY-2-BETA-PHENYLETHYL DERIVATIVES AS P-GLYCOPROTEIN (P-GP) INHIBITORS USEFUL IN DRUG RESISTANCE EVENTS UNIVERSITA DI PISA, 40% (IT) 2009-04-09 US disclosed
US-20030109532-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2003-06-12 US disclosed
US-20030004169-A1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2003-01-02 US disclosed
EP-1240141-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
EP-1240143-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
EP-1240142-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046145-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 WO disclosed
WO-2001046146-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 WO disclosed
WO-2001046144-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 WO disclosed
EP-0395312-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1999-05-12 EP disclosed
US-3929792-A Phenylpiperazine derivatives, process for their preparation and applications thereof BOUCHARA D EMILE 1975-12-30 US 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 (8 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-20140031365-A1 USE OF A POLYMORPH OF FLIBANSERIN FOR TREATING DISEASE FLNB, FLNA, FLAD1 ALDH1A1 1512/4885SMN1; SMN2 4548/4885SIGMAR1 950/4885
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO ALDH1A1 1589/4885SMN1; SMN2 1033/4885SIGMAR1 1308/4885
US-20030109532-A1 Modulators of dopamine neurotransmission OPRD1, CHRNA5, OPRM1 ALDH1A1 2082/4885SMN1; SMN2 960/4885SIGMAR1 5/4885
US-20160095855-A1 USE OF A POLYMORPH OF FLIBANSERIN FOR TREATING DISEASE FLNB, FLNA, FLAD1 ALDH1A1 1512/4885SMN1; SMN2 4548/4885SIGMAR1 950/4885
US-20150005316-A1 USE OF A POLYMORPH OF FLIBANSERIN FOR TREATING DISEASE FLNB, FLNA, FLAD1 ALDH1A1 1512/4885SMN1; SMN2 4548/4885SIGMAR1 950/4885
US-20120270883-A1 USE OF A POLYMORPH OF FLIBANSERIN FOR TREATING DISEASE FLNB, FLNA, FLAD1 ALDH1A1 1512/4885SMN1; SMN2 4548/4885SIGMAR1 950/4885
US-20090093493-A1 1-PHENYLALCOXY-2-BETA-PHENYLETHYL DERIVATIVES AS P-GLYCOPROTEIN (P-GP) INHIBITORS USEFUL IN DRUG RESISTANCE EVENTS ABCB1, ABCC1, ABCC2 ALDH1A1 999/4885SMN1; SMN2 4864/4885SIGMAR1 728/4885
US-20030004169-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 ALDH1A1 2318/4885SMN1; SMN2 904/4885SIGMAR1 5/4885

“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.