SCHEMBL12646286

SCHEMBL12646286

CCC(CC)c1ccccc1CN(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.47
SLC6A2 P23975 11/20 0.46
SLC6A3 Q01959 10/20 0.46
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
HTR2A P28223 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL17428477 0.82 TSHR (0.52) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL681660 0.79 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL9276125 0.79 GABRA1 (0.41) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL11727401 0.77 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL7474036 0.76 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL24246910 0.76 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL12981697 0.75 TSHR (0.42) SLC6A4SLC6A2SLC6A3TSHRLMNA
SCHEMBL3842151 0.75 PNMT (0.41) SLC6A4SLC6A2SLC6A3TSHR
SCHEMBL125255 0.75 ALDH1A1 (0.57) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL29729780 0.75 ALDH1A1 (0.57) SLC6A4SLC6A2SLC6A3ALDH1A1TSHR

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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 US disclosed
US-7956052-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-07 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 SLC6A4 19/4885SLC6A2 109/4885SLC6A3 179/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A SLC6A4 19/4885SLC6A2 109/4885SLC6A3 179/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A SLC6A4 19/4885SLC6A2 109/4885SLC6A3 179/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A SLC6A4 19/4885SLC6A2 109/4885SLC6A3 179/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A SLC6A4 19/4885SLC6A2 109/4885SLC6A3 179/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A SLC6A4 19/4885SLC6A2 109/4885SLC6A3 179/4885

“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.