SCHEMBL19129490

SCHEMBL19129490

CC(C)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
TACR1 P25103 17/20 0.56
CACNA1F O60840 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A4 P31645 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
SCHEMBL8873238 0.85 TACR1 (0.54) IDO1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL20905132 0.85 TACR1 (0.54) IDO1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL20980896 0.84 TACR1 (0.44) IDO1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL20905201 0.83 TACR1 (0.52) IDO1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL10819598 0.82 IDO1 (0.62) IDO1TACR1HTR2AHTR2CHTR2B
SCHEMBL22022403 0.82 HMGCR (0.49) IDO1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL20905117 0.80 TACR1 (0.50) IDO1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL12964410 0.80 IDO1 (0.57) IDO1TACR1
SCHEMBL9317434 0.78 TACR1 (0.70) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4964961 0.78 PTPN1 (0.34) IDO1TACR1

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-11242331-B2 Analogs of yohimbine and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-02-08 US disclosed
US-10807951-B2 mTORC1 modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-10-20 US disclosed
US-20190256490-A1 ANALOGS OF YOHIMBINE AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-22 US disclosed
WO-2019075386-A1 MTORC1 MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-04-18 WO disclosed
US-20190112268-A1 mTORC1 MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-18 US disclosed
US-20170204086-A1 ALPHA-HELIX ANALOG HAVING TRIAZINE-PIPERAZINE BACKBONE AND METHOD FOR PREPARING SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-07-20 US disclosed
US-20170204086-A1 ALPHA-HELIX ANALOG HAVING TRIAZINE-PIPERAZINE BACKBONE AND METHOD FOR PREPARING SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-07-20 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-20170204086-A1 ALPHA-HELIX ANALOG HAVING TRIAZINE-PIPERAZINE BACKBONE AND METHOD FOR PREPARING SAME HSPH1, HBZ, PITHD1 IDO1 3581/4885TACR1 4286/4885CACNA1F 4657/4885
US-11242331-B2 Analogs of yohimbine and uses thereof MAOA, MAOB, NPY5R IDO1 44/4885TACR1 581/4885CACNA1F 1231/4885
US-20190112268-A1 mTORC1 MODULATORS MTOR, RPTOR, RICTOR IDO1 3976/4885TACR1 4699/4885CACNA1F 3703/4885
US-20190256490-A1 ANALOGS OF YOHIMBINE AND USES THEREOF MAOA, MAOB, NPY5R IDO1 44/4885TACR1 581/4885CACNA1F 1231/4885
US-10807951-B2 mTORC1 modulators MTOR, RPTOR, RICTOR IDO1 3976/4885TACR1 4699/4885CACNA1F 3703/4885

“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.