SCHEMBL21880477

SCHEMBL21880477

CC(C)c1ccc2ccc(CC(C)c3ccc4ccccc4n3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ UGT2B7 P16662 1/20 0.37
▸ ALOX5AP P20292 2/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ ADRB2 P07550 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYSLTR1 Q9Y271 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ S1PR3 Q99500 1/20 0.34
▸ ALOX5 P09917 1/20 0.34

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
SCHEMBL23841158 0.85 HTR2A (0.38) HTR2AHTR2CHTR2BALDH1A1HSD17B10
SCHEMBL20155649 0.81 HTR2A (0.41) HTR2AHTR2CHTR2BALDH1A1HSD17B10
SCHEMBL24804481 0.78 HTR2A (0.39) HTR2AHTR2CHTR2BALDH1A1HSD17B10
SCHEMBL24758455 0.77 HTR2A (0.47) HTR2AHTR2CHTR2BUGT2B7SIGMAR1
SCHEMBL24380267 0.77 CYP1A2 (0.39) HTR2AHTR2CHTR2BALDH1A1HSD17B10
SCHEMBL19733400 0.74 RAB9A (0.46) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL21250494 0.74 TRPV1 (0.36) HTR2AHTR2CHTR2BALDH1A1HSD17B10
SCHEMBL23847192 0.73 HTR2A (0.41) HTR2AHTR2CHTR2BALDH1A1SIGMAR1
SCHEMBL21465962 0.73 HTR2A (0.48) HTR2AHTR2CHTR2BUGT2B7SIGMAR1
SCHEMBL21572133 0.73 MEN1 (0.37) CYP1A2S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 — — US disclosed
US-11299484-B2 Inhibiting fatty acid synthase (FASN) FORMA THERAPEUTICS, INC. (US) 2022-04-12 — — US disclosed
US-20210024508-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FORMA THERAPEUTICS, INC. 2021-01-28 — — US disclosed
US-10875848-B2 Inhibiting fatty acid synthase (FASN) FORMA THERAPEUTICS, INC. (US) 2020-12-29 — — US disclosed
US-20200115368-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FORMA THERAPEUTICS, INC. 2020-04-16 — — 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 (5 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-10875848-B2 Inhibiting fatty acid synthase (FASN) FASN, SCD, FADS1 HTR2A 3358/4885HTR2C 4065/4885HTR2B 3979/4885
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 HTR2A 4177/4885HTR2C 4271/4885HTR2B 4084/4885
US-20210024508-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FASN, SCD, FADS1 HTR2A 3358/4885HTR2C 4065/4885HTR2B 3979/4885
US-20200115368-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FASN, SCD, FADS1 HTR2A 3358/4885HTR2C 4065/4885HTR2B 3979/4885
US-11299484-B2 Inhibiting fatty acid synthase (FASN) FASN, SCD, FADS1 HTR2A 3358/4885HTR2C 4065/4885HTR2B 3979/4885

“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.

Send feedback