SCHEMBL18713682

SCHEMBL18713682

CCC(CC)c1ccc2c(c1)c(C)nn2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.50
▸ ADORA2B P29275 4/20 0.50
▸ LSS P48449 1/20 0.38
▸ GRM4 Q14833 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ QPCT Q16769 1/20 0.35
▸ CACNA1H O95180 3/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ MAPK8 P45983 3/20 0.32
▸ MAPK9 P45984 2/20 0.32
▸ MAPK10 P53779 2/20 0.32
▸ CHRM4 P08173 1/20 0.31
▸ GLS O94925 1/20 0.31
▸ PIM1 P11309 2/20 0.31
▸ SLC22A12 Q96S37 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ MAP4K2 Q12851 1/20 0.31

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
SCHEMBL19003532 0.87 ADORA2A (0.41) ADORA2AADORA2BLSSGRM4MCHR1
SCHEMBL20032325 0.87 ADORA2A (0.50) ADORA2AADORA2BLSSGRM4QPCT
SCHEMBL13394505 0.81 ADORA2A (0.55) ADORA2AADORA2BLSSGRM4MCHR1
SCHEMBL21239907 0.80 ADORA2A (0.46) ADORA2AADORA2BLSSGRM4MCHR1
SCHEMBL21240892 0.80 ADORA2A (0.46) ADORA2AADORA2BLSSGRM4MCHR1
SCHEMBL18713963 0.79 ADORA2A (0.45) ADORA2AADORA2BLSSGRM4QPCT
SCHEMBL24759258 0.79 ADORA2A (0.52) ADORA2AADORA2BLSSGRM4MCHR1
SCHEMBL19441842 0.79 ADORA2A (0.52) ADORA2AADORA2BLSSGRM4MCHR1
SCHEMBL24759259 0.79 ADORA2A (0.52) ADORA2AADORA2BLSSGRM4MCHR1
SCHEMBL12205419 0.75 ADORA2A (0.55) ADORA2AADORA2BLSSGRM4MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 — — US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 — — US disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 — — US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 — — US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 — — US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 — — US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 — — 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 (6 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-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ADORA2A 578/4885ADORA2B 1456/4885LSS 722/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ADORA2A 578/4885ADORA2B 1456/4885LSS 722/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ADORA2A 578/4885ADORA2B 1456/4885LSS 722/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ADORA2A 578/4885ADORA2B 1456/4885LSS 722/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ADORA2A 578/4885ADORA2B 1456/4885LSS 722/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ADORA2A 578/4885ADORA2B 1456/4885LSS 722/4885

“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