SCHEMBL19685908

SCHEMBL19685908

O=C1CCCc2cc(N(c3ccccc3)c3ccccc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.55
MAOA P21397 10/20 0.53
MAOB P27338 10/20 0.53
CYP2A6 P11509 1/20 0.53
PRKCI P41743 1/20 0.51
HSD17B1 P14061 2/20 0.46
BAZ2B Q9UIF8 1/20 0.43
MAPK14 Q16539 4/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL32691764 1.00 GRM5 (0.55) GRM5MAOAMAOBCYP2A6PRKCI
SCHEMBL19685911 0.89 HSD17B1 (0.61) GRM5MAOAMAOBCYP2A6PRKCI
SCHEMBL19686133 0.87 MAOA (0.53) GRM5MAOAMAOBCYP2A6PRKCI
SCHEMBL17361577 0.84 GRM5 (0.52) GRM5MAOAMAOBCYP2A6PRKCI
SCHEMBL19686129 0.82 GRM5 (0.42) GRM5MAOAMAOBCYP2A6PRKCI
SCHEMBL19686137 0.80 MAOA (0.49) GRM5MAOAMAOBCYP2A6PRKCI
SCHEMBL8852754 0.79 ALDH1A1 (0.43) MEN1MAPK1KMT2A
SCHEMBL11872289 0.78 MAOB (0.56) GRM5MAOAMAOBCYP2A6PRKCI
SCHEMBL29282570 0.77 MAOB (0.51) GRM5MAOAMAOBCYP2A6PRKCI
Hydrochloric Acid SCHEMBL11463421 0.77 MAOB (0.54) GRM5MAOAMAOBCYP2A6PRKCI

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-10714693-B2 Polycyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-14 US disclosed
US-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2017-12-07 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 (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-10714693-B2 Polycyclic compound and organic electroluminescence device including the same CYC1, CCNA1, CYCS GRM5 4529/4885MAOA 1632/4885MAOB 1878/4885
US-20170352817-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME CYC1, CCNA1, CYCS GRM5 4529/4885MAOA 1632/4885MAOB 1878/4885

“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.