SCHEMBL18713745

SCHEMBL18713745

CCC(CC)c1ccc(-c2cccc(OC(C)C)c2)cc1-n1ccc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
FFAR4 Q5NUL3 3/20 0.38
SLC13A5 Q86YT5 1/20 0.37
PTPN5 P54829 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
WDR5 P61964 1/20 0.35
FABP4 P15090 2/20 0.34
CYP17A1 P05093 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CNR1 P21554 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
SCHEMBL21366581 0.94 RXRA (0.38) RXRARXRBGABRA1GABRG2GABRB3
SCHEMBL18713746 0.90 RXRA (0.41) RXRARXRBMAPTALDH1A1RAB9A
SCHEMBL18713621 0.90 MAPT (0.38) MAPTALDH1A1RAB9AKDM4EGAA
SCHEMBL20032358 0.86 KCNH2 (0.42) SLC13A5
SCHEMBL18713817 0.86 FFAR4 (0.36) FFAR4MAPTALDH1A1RAB9AKDM4E
SCHEMBL20032137 0.85 RAB9A (0.39) MAPTALDH1A1RAB9AKDM4EGAA
SCHEMBL18713755 0.84 MAPT (0.37) RXRARXRBPTPN5MAPTALDH1A1
SCHEMBL21366782 0.84 RXRA (0.38) RXRARXRBMAPTALDH1A1RAB9A
SCHEMBL16574137 0.83 RXRA (0.46) RXRARXRBGABRA1GABRG2GABRB3
SCHEMBL18713669 0.83 ALDH1A1 (0.36) MAPTALDH1A1RAB9AKDM4EGAA

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 6 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-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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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 (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-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A RXRA 2879/4885RXRB 3349/4885GABRA1 3190/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A RXRA 2879/4885RXRB 3349/4885GABRA1 3190/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A RXRA 2879/4885RXRB 3349/4885GABRA1 3190/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A RXRA 2879/4885RXRB 3349/4885GABRA1 3190/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A RXRA 2879/4885RXRB 3349/4885GABRA1 3190/4885

“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.