SCHEMBL6177530

SCHEMBL6177530

CC1CCC(C)c2ncccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PDK2 Q15119 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
HTR1A P08908 4/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 2/20 0.33
GSK3B P49841 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL30831500 0.85 P2RX7 (0.42)
SCHEMBL26568503 0.85 HTR2A (0.33) HTR2AHTR2CHTR2BPDK2HTR1A
SCHEMBL30831575 0.85 P2RX7 (0.42)
SCHEMBL26571811 0.85 HTR2A (0.33) HTR2AHTR2CHTR2BPDK2HTR1A
SCHEMBL19251265 0.83 HTR2A (0.42) HTR2AHTR2CHTR2BPDK2GSK3B
SCHEMBL19250881 0.83 HTR2A (0.42) HTR2AHTR2CHTR2BPDK2GSK3B
SCHEMBL11886343 0.83 HTR2A (0.42) HTR2AHTR2CHTR2BPDK2GSK3B
SCHEMBL19250878 0.83 HTR2A (0.42) HTR2AHTR2CHTR2BPDK2GSK3B
SCHEMBL29992980 0.82 KDM4E (0.38) HTR2AHTR2CHTR2BKMT2A
SCHEMBL28613524 0.82 KDM4E (0.38) HTR2AHTR2CHTR2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
EP-1559709-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same Eisai Co., Ltd. (JP) 2005-08-03 EP disclosed
EP-0838453-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2005-04-27 EP disclosed
US-6884808-B2 Heterocycle-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. (JP) 2005-04-26 US disclosed
US-6630463-B2 Such as 4-(4-(2-(2-(5,6,7,8-tetrahydro-5,5,8,8 -tetramethylquinoxalyl))pyrrolyl))benzoic acid; for treatment of acute promyelocytic leukemia EISAI CO. LTD. (JP) 2003-10-07 US disclosed
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2003-07-31 US disclosed
US-6541474-B2 Administering a pharmaceutically effective dose of the heterocycle-containing carboxylic acid derivative or salt to a patient suffering form acute promyelocytic leukemia EISAI CO. LTD. (JP) 2003-04-01 US disclosed
US-20020103234-A1 Heterocycl-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2002-08-01 US disclosed
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2002-03-14 US disclosed
US-6329402-B1 FOR THERAPY OF ACUTE PROMYELOCYTIC LEUKEMIA EISAI CO., LTD. (JP) 2001-12-11 US disclosed
US-5977108-A LEUKEMIA EISAI CO., LTD (JP) 1999-11-02 US disclosed
EP-0838453-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 1998-04-29 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-20020103234-A1 Heterocycl-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG HTR2A 3501/4885HTR2C 2855/4885HTR2B 2668/4885
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG HTR2A 3434/4885HTR2C 2857/4885HTR2B 2449/4885
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG HTR2A 3434/4885HTR2C 2857/4885HTR2B 2449/4885

“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.