SCHEMBL19535293

SCHEMBL19535293

CCn1cc(C2CCCC2)nn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.58
HRH4 Q9H3N8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
DPP4 P27487 1/20 0.44
MIF P14174 1/20 0.44
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
RET P07949 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
GSK3B P49841 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GPR88 Q9GZN0 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL21016237 0.98 CYP19A1 (0.60) CYP19A1HRH4HRH3DPP4MIF
SCHEMBL12432227 0.92 CYP19A1 (0.49) CYP19A1HRH4HRH3DPP4MIF
SCHEMBL19535202 0.86 CYP19A1 (0.55) CYP19A1HRH4HRH3DPP4MIF
SCHEMBL19535084 0.83 HRH4 (0.56) CYP19A1HRH4HRH3DPP4MIF
SCHEMBL21286188 0.78 DPP4 (0.54) CYP19A1HRH4HRH3DPP4MIF
SCHEMBL26947314 0.78 CYP19A1 (0.55) CYP19A1HRH4HRH3DPP4MIF
SCHEMBL19535067 0.78 CYP19A1 (0.46) CYP19A1HRH4HRH3DPP4MIF
SCHEMBL9138481 0.77 CYP19A1 (0.57) CYP19A1HRH4HRH3DPP4MIF
SCHEMBL9091212 0.77 CYP19A1 (0.57) CYP19A1HRH4HRH3DPP4MIF
SCHEMBL12851402 0.77 CYP19A1 (0.50) CYP19A1HRH4HRH3DPP4MIF

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-11242331-B2 Analogs of yohimbine and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-02-08 US disclosed
US-11130764-B2 Analogs of vincamine and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-09-28 US disclosed
US-20190256490-A1 ANALOGS OF YOHIMBINE AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-22 US disclosed
WO-2017190038-A1 ANALOGS OF YOHIMBINE AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2017-11-02 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 (3 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-11242331-B2 Analogs of yohimbine and uses thereof MAOA, MAOB, NPY5R CYP19A1 218/4885HRH4 407/4885HRH3 203/4885
US-20190256490-A1 ANALOGS OF YOHIMBINE AND USES THEREOF MAOA, MAOB, NPY5R CYP19A1 218/4885HRH4 407/4885HRH3 203/4885
US-11130764-B2 Analogs of vincamine and uses thereof GLS, GLS2, VAT1 CYP19A1 209/4885HRH4 3431/4885HRH3 2557/4885

“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.