SCHEMBL19862567

SCHEMBL19862567

CC(C)N1CC[C@@H](Oc2ccc(F)cn2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.48
TDO2 P48775 2/20 0.46
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
ATM Q13315 1/20 0.39
ATR Q13535 1/20 0.39
ACACB O00763 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NAMPT P43490 1/20 0.38
LIPE Q05469 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
SCHEMBL19862569 1.00 HRH3 (0.48) HRH3TDO2OXTRAVPR1AATM
SCHEMBL20152055 1.00 HRH3 (0.48) HRH3TDO2OXTRAVPR1AATM
SCHEMBL20147458 0.92 HRH3 (0.56) HRH3TDO2NAMPTLIPE
SCHEMBL20147459 0.88 SLC6A4 (0.45) HRH3TDO2OXTRAVPR1A
SCHEMBL20069366 0.84 TDO2 (0.54) HRH3TDO2OXTRAVPR1AATM
SCHEMBL19865665 0.84 TDO2 (0.54) HRH3TDO2OXTRAVPR1AATM
SCHEMBL19865633 0.84 TDO2 (0.54) HRH3TDO2OXTRAVPR1AATM
SCHEMBL1929289 0.83 HRH3 (0.48) HRH3ATMATRACACBCNR1
SCHEMBL20147962 0.82 TDO2 (0.61) HRH3TDO2OXTRAVPR1ANAMPT
SCHEMBL26400528 0.80 HRH3 (0.46) HRH3ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 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 (1 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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A HRH3 4261/4885TDO2 2314/4885OXTR 4378/4885

“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.