SCHEMBL20032390

SCHEMBL20032390

CCCCS(=O)(=O)c1cccc(C(CC)CC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.40
NR1I2 O75469 1/20 0.39
PNMT P11086 1/20 0.38
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PSIP1 O75475 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD11B1 P28845 1/20 0.34
CYP1A2 P05177 2/20 0.34
MCHR1 Q99705 1/20 0.34
SOAT1 P35610 1/20 0.34
MMP13 P45452 1/20 0.34
THRB P10828 1/20 0.34
HDAC4 P56524 1/20 0.33

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
SCHEMBL18713574 0.90 CCR5 (0.42) CCR5PNMTCYP2C9CYP2C19CYP3A4
SCHEMBL18713904 0.86 KAT6A (0.39) PNMTCYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL18713459 0.85 PSIP1 (0.50) CCR5CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL21164503 0.83 CCR5 (0.39) CCR5NR1I2CYP2C9CYP2C19CYP3A4
SCHEMBL17411225 0.82 NR1I2 (0.42) NR1I2PNMTCA12CA1CA2
SCHEMBL21164434 0.79 PSIP1 (0.44) CCR5NR1I2CYP2C9CYP2C19CYP3A4
SCHEMBL20032397 0.78 CCR5 (0.45) CCR5CYP3A4ALDH1A1HDAC4HDAC2
SCHEMBL3389704 0.77 CA2 (0.38) CA12CA1CA2CA9
SCHEMBL20032423 0.77 CA2 (0.55) CCR5CA12CA1CA2CA9
SCHEMBL10642276 0.77 FBP1 (0.51) PNMTCYP2C9CYP2C19CYP3A4ALDH1A1

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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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 (7 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CCR5 408/4885NR1I2 185/4885PNMT 107/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CCR5 408/4885NR1I2 185/4885PNMT 107/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CCR5 408/4885NR1I2 185/4885PNMT 107/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CCR5 408/4885NR1I2 185/4885PNMT 107/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CCR5 408/4885NR1I2 185/4885PNMT 107/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A CCR5 408/4885NR1I2 185/4885PNMT 107/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CCR5 408/4885NR1I2 185/4885PNMT 107/4885

“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.