SCHEMBL3976547

SCHEMBL3976547

Nc1ccc(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
MAPT P10636 1/20 1.00
TSHR P16473 1/20 1.00
NFKB1 P19838 1/20 1.00
MAPK1 P28482 1/20 1.00
CYP2C19 P33261 1/20 1.00
THPO P40225 1/20 1.00
MTOR P42345 1/20 1.00
BLM P54132 1/20 1.00
PMP22 Q01453 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
HTR1A P08908 9/20 0.82
SIGMAR1 Q99720 2/20 0.79
DRD2 P14416 3/20 0.64
HTR2A P28223 2/20 0.64
HTR2C P28335 2/20 0.61

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
SCHEMBL31513986 1.00 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
Hydrochloric Acid SCHEMBL15263292 0.99 ALDH1A1 (0.98) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL14410956 0.90 HTR1A (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL3454609 0.88 SIGMAR1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL6619322 0.84 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL10900911 0.83 SIGMAR1 (0.76) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL9519068 0.82 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL3457736 0.81 SIGMAR1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL11465528 0.81 SIGMAR1 (0.76) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL11560357 0.81 MAPT (0.67) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT

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
WO-2009055001-A2 METHODS OF TREATING AGING AND METHODS OF SCREENING CANDIDATE AGENTS THEREFOR FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2009-04-30 WO claimed
US-20020035998-A1 Method for treatment of cancer and infectious disease HELLSTRAND KRISTOFFER (SE) 2002-03-28 US claimed
US-6305380-B1 ADMINISTERING HISTAMINE AGONIST OR HT3 RECEPTOR ANTAGONIST TO ACTIVATE NATURAL KILLER CELLS AND TREAT VIRAL DISEASES MAXIM PHARMACEUTICALS, INC. 2001-10-23 US claimed
EP-0652768-B1 A pharmaceutical preparation for the synergistic activation of natural killer cells MAXIM PHARM INC (US) 2000-05-03 EP claimed
US-5728378-A ANTITUMOR AND ANTIVIRUS AGENTS MAXIM PHARMACEUTICALS, INC. (US) 1998-03-17 US claimed
US-9938525-B2 Compositions and methods for selective delivery of oligonucleotide molecules to cell types NLIFE THERAPEUTICS, S.L. (ES) 2018-04-10 US disclosed
CN-103614382-B Cabbage caterpillar 5-hydroxytryptamine receptor gene Pr5-HT 8and application ZHEJIANG UNIVERSITY (CN) 2016-04-13 CN disclosed
US-20150315575-A1 COMPOSITIONS AND METHODS FOR SELECTIVE DELIVERY OF OLIGONUCLEOTIDE MOLECULES TO CELL TYPES PALOMO LIMITED (CY) 2015-11-05 US disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP disclosed
US-5576352-A Method of inhibiting gastric acid secretion with aryloxypropanolamines ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
US-5457120-A Antisecretory and antiserotonine agents ELI LILLY AND COMPANY (US) 1995-10-10 US disclosed
US-5340838-A Administering serotonin agonist to mammals ELI LILLY AND COMPANY (US) 1994-08-23 US disclosed
US-5258379-A ADMINISTERING IN AN EFFECTIVE DOSAGE TO MAMMALS ELI LILLY AND COMPANY (US) 1993-11-02 US disclosed
US-5158956-A Administering serotonin receptor agonist ELI LILLY AND COMPANY (US) 1992-10-27 US disclosed
US-5096908-A 5-HT1A agonist ELI LILLY AND COMPANY (US) 1992-03-17 US disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP 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 (3 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-20150315575-A1 COMPOSITIONS AND METHODS FOR SELECTIVE DELIVERY OF OLIGONUCLEOTIDE MOLECULES TO CELL TYPES MSR1, HAVCR2, SNRPE ALDH1A1 4320/4885CYP1A2 4881/4885CYP3A4 4883/4885
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 ALDH1A1 730/4885CYP1A2 2055/4885CYP3A4 2764/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 ALDH1A1 730/4885CYP1A2 2055/4885CYP3A4 2764/4885

“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.