SCHEMBL6949587

SCHEMBL6949587

CC(C)(C)OC(=O)N1C(=O)CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
BCHE P06276 1/20 0.52
NOTUM Q6P988 1/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
RAB9A P51151 1/20 0.45
NR1I3 Q14994 5/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.42
HSD17B3 P37058 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL29466630 1.00 MEN1 (0.56) MEN1KMT2ABCHENOTUMNPC1
SCHEMBL29541811 0.87 NOTUM (0.62) MEN1KMT2ABCHENOTUMNR1I3
SCHEMBL2419240 0.87 NOTUM (0.62) MEN1KMT2ABCHENOTUMNR1I3
SCHEMBL30122343 0.82 ESR2 (0.52) MEN1KMT2ABCHENR1I3
SCHEMBL29479856 0.81 BCHE (0.62) MEN1KMT2ABCHENOTUMNR1I3
SCHEMBL3783027 0.81 HSD17B3 (0.40) KMT2ABCHENR1I3ALDH1A1CYP3A4
SCHEMBL3787281 0.81 HDAC1 (0.44) BCHEHSD17B3HDAC1HDAC6
SCHEMBL3748240 0.79 BCHE (0.43) BCHEKDM4E
SCHEMBL6199079 0.78 NOTUM (0.72) MEN1KMT2ANOTUMNPC1MITF
SCHEMBL30122333 0.78 GLA (0.44) MEN1KMT2ABCHENOTUMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022115439-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-06-02 WO disclosed
WO-2020236940-A1 KRAS G12C INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-11-26 WO disclosed
EP-3046906-B1 ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-08-16 EP disclosed
EP-3046906-B1 ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-08-16 EP disclosed
US-9725443-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-08 US disclosed
US-9725443-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-08 US disclosed
US-9725443-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-08 US disclosed
US-9663469-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-9663469-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-9663469-B2 RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
WO-2015035278-A1 RORγ MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-12 WO disclosed
WO-2012111449-A1 METHOD FOR PRODUCING AROMATIC COMPOUND HAVING RING STRUCTURE THAT INCLUDES NITROGEN ATOM OR OXYGEN ATOM 国立大学法人名古屋大学 (JP) 2012-08-23 WO disclosed
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
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-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-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 disclosed
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 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 MEN1 3388/4885KMT2A 2616/4885BCHE 807/4885
US-20010047098-A1 Benzo[c]quinolizine derivatives, their preparation and use as 5alpha-reductases inhibitors CYP3A5, CYP51A1, CYP2F1 MEN1 3388/4885KMT2A 2616/4885BCHE 807/4885

“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.