SCHEMBL6943973

SCHEMBL6943973

CC1C(=O)C=CN2c3ccccc3CCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 1.00
NOTUM Q6P988 1/20 0.38
ESR1 P03372 1/20 0.36
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM1 P11229 3/20 0.36
TSHR P16473 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
HSD17B3 P37058 1/20 0.36
CHRM3 P20309 2/20 0.35
CHRM5 P08912 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL6945939 1.00 SRD5A1 (1.00) SRD5A1NOTUMESR1CHRM2CHRM4
SCHEMBL7052742 1.00 SRD5A1 (1.00) SRD5A1NOTUMESR1CHRM2CHRM4
SCHEMBL6945937 1.00 SRD5A1 (1.00) SRD5A1NOTUMESR1CHRM2CHRM4
SCHEMBL7050013 0.82 SRD5A1 (1.00) SRD5A1NOTUM
SCHEMBL6945153 0.82 SRD5A1 (1.00) SRD5A1NOTUM
SCHEMBL7051403 0.81 SRD5A1 (1.00) SRD5A1NOTUMHSD17B3
SCHEMBL6944630 0.81 SRD5A1 (1.00) SRD5A1NOTUMHSD17B3
SCHEMBL6940070 0.70 SRD5A1 (1.00) SRD5A1NOTUM
SCHEMBL6946528 0.69 SRD5A1 (0.52) SRD5A1ESR1CHRM2CHRM4CHRM1
SCHEMBL25444808 0.64 SRD5A1 (0.47) SRD5A1CHRM2CHRM4CHRM1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-6514912-B1 Use of benzo[C]quinolizine derivatives as plant growth regulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-02-04 US 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-20010044542-A1 Benzo [c] quinolizine derivatives, their preparation and use as 5alpha-reductases inhibitors MERCK SERONO SA (CH) 2001-11-22 US claimed
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 claimed
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 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 8/4885NOTUM 551/4885ESR1 1434/4885
US-20010047098-A1 Benzo[c]quinolizine derivatives, their preparation and use as 5alpha-reductases inhibitors CYP3A5, CYP51A1, CYP2F1 SRD5A1 8/4885NOTUM 551/4885ESR1 1434/4885

“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.