SCHEMBL18722015

SCHEMBL18722015

COc1cccc(NCC(C)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.78
DNM1 Q05193 6/20 0.53
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
OPRM1 P35372 1/20 0.49
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
ERBB2 P04626 1/20 0.39
PTK6 Q13882 1/20 0.39
ELANE P08246 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL410621 0.88 TSPO (0.77) TSPODNM1CYP1A2CYP2C19OPRM1
SCHEMBL406252 0.88 TSPO (0.77) TSPODNM1CYP1A2CYP2C19OPRM1
SCHEMBL410057 0.88 TSPO (1.00) TSPODNM1CYP1A2CYP2C19OPRM1
SCHEMBL18806386 0.88 TSPO (1.00) TSPODNM1CYP1A2CYP2C19OPRM1
SCHEMBL409699 0.88 TSPO (0.77) TSPODNM1CYP1A2CYP2C19OPRM1
SCHEMBL410188 0.88 TSPO (1.00) TSPODNM1CYP1A2CYP2C19OPRM1
SCHEMBL409626 0.88 TSPO (1.00) TSPODNM1CYP1A2CYP2C19OPRM1
SCHEMBL10287450 0.88 TSPO (1.00) TSPODNM1CYP1A2CYP2C19OPRM1
SCHEMBL407526 0.88 TSPO (0.77) TSPODNM1CYP1A2CYP2C19OPRM1
SCHEMBL411251 0.84 TSPO (0.71) TSPODNM1MAPTSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183011-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-22 US disclosed
US-20180127367-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-05-10 US disclosed
US-9962368-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-08 US disclosed
US-9884820-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-06 US disclosed
US-20170157092-A1 Anti-depression Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-06-08 US disclosed
US-9616048-B2 Anti-depression compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-11 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 (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-20180127367-A1 Pro-Neurogenic Compounds BDNF, GAP43, DCX TSPO 2470/4885DNM1 897/4885CYP1A2 4486/4885
US-10183011-B2 Anti-depression compounds BDNF, DCX, GAP43 TSPO 2600/4885DNM1 638/4885CYP1A2 4439/4885
US-20170157092-A1 Anti-depression Compounds BDNF, DCX, GAP43 TSPO 2600/4885DNM1 638/4885CYP1A2 4439/4885

“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.