SCHEMBL157808

SCHEMBL157808

NCCCC(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 1.00
HTR2A P28223 7/20 1.00
TAAR1 Q96RJ0 1/20 0.56
SIGMAR1 Q99720 2/20 0.50
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
GRM2 Q14416 1/20 0.46
GRM3 Q14832 1/20 0.46
HTR1B P28222 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
Bromide SCHEMBL10687139 0.98 HRH1 (0.95) HRH1HTR2ATAAR1SIGMAR1CHRNB2
SCHEMBL4403161 0.93 HRH1 (0.86) HRH1HTR2ATAAR1SIGMAR1CHRNB2
SCHEMBL2849801 0.91 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1
SCHEMBL5089222 0.91 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1
SCHEMBL11329969 0.91 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1
SCHEMBL11328616 0.91 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1
SCHEMBL1204774 0.91 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1
SCHEMBL2836377 0.91 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1
SCHEMBL29060377 0.91 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1
SCHEMBL8140507 0.89 HRH1 (0.80) HRH1HTR2ATAAR1SIGMAR1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007062862-A2 USE OF CALMODULIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS LUDWIG MAXIMILIANS UNIVERSITÄT MÜNCHEN (DE) 2007-06-07 WO claimed
US-20030064929-A1 Modulating body/cranial hair growth DURANTON ALBERT (FR) 2003-04-03 US claimed
EP-0648488-B1 Method to alter hairgrowth and compositions therefor OREAL (FR) 2000-11-29 EP claimed
US-5928654-A Modulating body/cranial hair growth with lipoxygenase/cyclooxygenase inhibitors SOCIETE L'OREAL S.A. (FR) 1999-07-27 US claimed
EP-0800815-A2 Use of at least one lypoxygenase inhibitor and at least one cyclo-oxygenase inhibitor to alter hair growth L'OREAL (FR) 1997-10-15 EP claimed
EP-0648488-A1 Method to alter hairgrowth and compositions therefor L'OREAL (FR) 1995-04-19 EP claimed
EP-0428754-B1 HAIR GROWTH STIMULANT SHISEIDO CO LTD (JP) 1994-05-25 EP claimed
EP-0428754-A1 HAIR GROWTH STIMULANT SHISEIDO COMPANY LIMITED (JP) 1991-05-29 EP claimed
EP-0168626-B1 COMPOSITION FOR THE MANUFACTURE OF A MEDICAMENT FOR THE THERAPEUTIC TREATMENT OF TRAUMA OF THE SKIN BAR-ILAN UNIVERSITY (IL) 1990-09-12 EP claimed
US-4654323-A BLOCKING AGENT FOR CALCIUM CALMODULIN COMPLEX BAR ILAN UNIVERSITY (IL) 1987-03-31 US claimed
EP-0168626-A1 Composition for the manufacture of a medicament for the therapeutic treatment of trauma of the skin BAR-ILAN UNIVERSITY (IL) 1986-01-22 EP claimed
EP-0082203-A1 USE OF CALMODULIN BINDING DRUGS IN UTERUS TO PREVENT PREGNANCY THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1983-06-29 EP claimed
US-4377577-A Use of psychoactive drugs in uterus to prevent pregnancy UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1983-03-22 US claimed
WO-1983000086-A1 USE OF CALMODULIN BINDING DRUGS IN UTERUS TO PREVENT PREGNANCY UNIV GEORGIA RES FOUND (US) 1983-01-20 WO claimed
EP-0053108-A1 VAGINAL CONTRACEPTIVES COMPRISING PSYCHOACTIVE DRUGS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1982-06-09 EP claimed
WO-1981003421-A1 USE OF PSYCHOACTIVE DRUGS AS VAGINAL CONTRACEPTIVES UNIV GEORGIA (US) 1981-12-10 WO claimed
JP-54084578-A None JP disclosed
CN-119365447-A Process for preparing substantially nitrosamine-free, peroxide-free, substantially colorless amine oxide 巴斯夫欧洲公司 2025-01-24 CN disclosed
US-4034011-A 1,1-Diphenyl-4-(substituted-amino)butanes ELI LILLY AND COMPANY (US) 1977-07-05 US disclosed
US-3987201-A ARYL AMINES ELI LILLY AND COMPANY (US) 1976-10-19 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 (1 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-20030064929-A1 Modulating body/cranial hair growth ALOX15B, ALOX12, ALOX5 HRH1 1134/4885HTR2A 519/4885TAAR1 1922/4885

“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.