SCHEMBL14415979

SCHEMBL14415979

CC(C)CNCCc1cnc[nH]1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.79
HRH3 Q9Y5N1 12/20 0.79
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
QPCT Q16769 1/20 0.53
QPCTL Q9NXS2 1/20 0.53

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
Hydrochloric Acid SCHEMBL1677835 0.83 HRH4 (0.57) HRH4HRH3MEN1ALDH1A1MAPT
SCHEMBL13073926 0.80 HRH3 (0.77) HRH4HRH3MEN1ALDH1A1MAPT
SCHEMBL13337048 0.79 HRH3 (0.78) HRH4HRH3MEN1ALDH1A1MAPT
SCHEMBL3934417 0.77 HRH3 (0.61) HRH4HRH3MEN1ALDH1A1MAPT
SCHEMBL14569277 0.76 CYP19A1 (0.57) HRH4HRH3MEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1696889 0.74 HRH3 (0.96) HRH4HRH3MEN1ALDH1A1MAPT
SCHEMBL26267985 0.73 HRH3 (0.72) HRH4HRH3MEN1ALDH1A1MAPT
SCHEMBL21290462 0.72 HRH4 (0.45) HRH4HRH3ALDH1A1
SCHEMBL14197099 0.72 QPCT (0.69) HRH4HRH3MEN1ALDH1A1MAPT
SCHEMBL8963903 0.72 HRH3 (0.73) HRH4HRH3MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
WO-2007084498-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO 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 (2 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-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 HRH4 3192/4885HRH3 1617/4885MEN1 1157/4885
US-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS HRH4 2441/4885HRH3 3867/4885MEN1 2209/4885

“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.