SCHEMBL6942296

SCHEMBL6942296

CC1CC(=O)CC2CCc3ccccc3N12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.48
HTR2C P28335 4/20 0.47
HTR2B P41595 4/20 0.47
HTR2A P28223 3/20 0.47
NOTUM Q6P988 2/20 0.45
ESR1 P03372 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
TSHR P16473 1/20 0.39
CHRM3 P20309 1/20 0.39
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38

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
SCHEMBL25354290 0.83 SRD5A1 (0.46) SRD5A1HTR2CHTR2BHTR2ANOTUM
Hydrochloric Acid SCHEMBL25356811 0.82 POLB (0.46) SRD5A1HTR2CHTR2BHTR2ANOTUM
SCHEMBL24315481 0.75 HTR2A (0.60) HTR2CHTR2BHTR2ANOTUMCHRM2
SCHEMBL6945075 0.72 HTR2C (0.55) SRD5A1HTR2CHTR2BHTR2ANOTUM
SCHEMBL1869057 0.71 HTR2A (0.55) HTR2CHTR2BHTR2ANOTUMCHRM2
SCHEMBL13276577 0.71 HTR2A (0.55) HTR2CHTR2BHTR2ANOTUMCHRM2
SCHEMBL14698875 0.71 NOTUM (0.63) SRD5A1NOTUMCHRM2CHRM1OPRM1
SCHEMBL17339956 0.70 HTR2A (0.54) HTR2CHTR2BHTR2ANOTUMCHRM2
SCHEMBL31091227 0.67 NOTUM (0.56) SRD5A1HTR2CHTR2BNOTUMCHRM2
SCHEMBL15222054 0.66 POLB (0.51) SRD5A1ESR1CHRM2CHRM4CHRM1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999747-B1 USE OF BENZO[C]QUINOLIZINE DERIVATIVES AS PLANT GROWTH REGULATORS APPLIED RESEARCH SYSTEMS (AN) 2003-04-23 EP claimed
EP-0880520-B1 BENZO [C]QUINOLIZINE DERIVATIVES, THEIR PREPARATION AND USE AS 5-ALPHA-REDUCTASES INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2003-04-16 EP claimed
US-20010047098-A1 Benzo[c]quinolizine derivatives, their preparation and use as 5alpha-reductases inhibitors MERCK SERONO SA (CH) 2001-11-29 US claimed
US-6303622-B1 FOR THERAPY OF ACNE, BALDNESS, PROSTATE CANCER, PROSTATIC HYPERTROPHY; HIRSUTISM APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2001-10-16 US claimed
EP-0880520-A1 BENZO [C]QUINOLIZINE DERIVATIVES, THEIR PREPARATION AND USE AS 5-ALPHA-REDUCTASES INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 1998-12-02 EP claimed
WO-1997029107-A1 BENZO[C]QUINOLIZINE DERIVATIVES, THEIR PREPARATION AND USE AS 5α-REDUCTASES INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 1997-08-14 WO claimed
US-6555549-B2 Useful in treating acne, baldness, prostatic cancer and hypertrophy in men and hirsutism in women APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-04-29 US disclosed
EP-0999747-B1 USE OF BENZO[C]QUINOLIZINE DERIVATIVES AS PLANT GROWTH REGULATORS APPLIED RESEARCH SYSTEMS (AN) 2003-04-23 EP disclosed
US-6552034-B2 Cyclization of a silylated butadiene reacted with a 2-oxo-1,2,3,4-tetrahydroquinoline; acne; alopecia; prostatic cancer and hypertrophy; hirsutism in women; skin and glandular disorders; anticarcinogenic agents APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-04-22 US disclosed
EP-0880520-B1 BENZO [C]QUINOLIZINE DERIVATIVES, THEIR PREPARATION AND USE AS 5-ALPHA-REDUCTASES INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2003-04-16 EP disclosed
US-6514912-B1 Use of benzo[C]quinolizine derivatives as plant growth regulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-02-04 US disclosed
US-20010047098-A1 Benzo[c]quinolizine derivatives, their preparation and use as 5alpha-reductases inhibitors MERCK SERONO SA (CH) 2001-11-29 US disclosed
US-20010044542-A1 Benzo [c] quinolizine derivatives, their preparation and use as 5alpha-reductases inhibitors MERCK SERONO SA (CH) 2001-11-22 US disclosed
US-6303622-B1 FOR THERAPY OF ACNE, BALDNESS, PROSTATE CANCER, PROSTATIC HYPERTROPHY; HIRSUTISM APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2001-10-16 US disclosed
EP-0999747-A1 USE OF BENZO C]QUINOLIZINE DERIVATIVES AS PLANT GROWTH REGULATORS Applied Research Systems ARS Holding N.V. (AN) 2000-05-17 EP disclosed
WO-1999005913-A1 USE OF BENZO[C]QUINOLIZINE DERIVATIVES AS PLANT GROWTH REGULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 1999-02-11 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 (2 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-20010044542-A1 Benzo [c] quinolizine derivatives, their preparation and use as 5alpha-reductases inhibitors CYP3A5, CYP51A1, CYP2F1 SRD5A1 8/4885HTR2C 531/4885HTR2B 1556/4885
US-20010047098-A1 Benzo[c]quinolizine derivatives, their preparation and use as 5alpha-reductases inhibitors CYP3A5, CYP51A1, CYP2F1 SRD5A1 8/4885HTR2C 531/4885HTR2B 1556/4885

“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.