SCHEMBL12625908

SCHEMBL12625908

O=C(c1ccccc1)N1CCC2(CC1)SCCN2Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.59
CHRM3 P20309 4/20 0.59
RIPK1 Q13546 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2D6 P10635 5/20 0.51
TSHR P16473 5/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47

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
SCHEMBL25055546 0.86 CYP2D6 (0.58) CHRM2CHRM3ALDH1A1CYP2D6TSHR
SCHEMBL25055564 0.82 CYP2D6 (0.44) CHRM2CHRM3CYP2D6TSHRMEN1
SCHEMBL25055627 0.82 OPRD1 (0.49) CHRM2CHRM3RIPK1ALDH1A1CYP2D6
SCHEMBL25055762 0.82 OPRD1 (0.49) CHRM2CHRM3RIPK1ALDH1A1CYP2D6
SCHEMBL25055536 0.81 OPRM1 (0.43) CHRM2CHRM3KDM4EALDH1A1CYP2D6
SCHEMBL25055852 0.81 CYP2D6 (0.52) CHRM2CHRM3RIPK1ALDH1A1CYP2D6
SCHEMBL25055784 0.81 POLB (0.45) KDM4EALDH1A1CYP2D6TSHRCYP3A4
SCHEMBL25055721 0.80 OPRD1 (0.42) CHRM2CHRM3ALDH1A1CYP2D6TSHR
SCHEMBL25055686 0.80 PLAU (0.41) CHRM2CHRM3ALDH1A1CYP2D6MEN1
SCHEMBL25055614 0.80 OPRD1 (0.52) KDM4EALDH1A1CYP2D6TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661580-B2 Method of inhibiting tau phosphorylation CASSAVA SCIENCES, INC. (US) 2023-05-30 US disclosed
US-10017736-B2 Method of inhibiting tau phosphorylation PAIN THERAPEUTICS, INC. (US) 2018-07-10 US disclosed
US-9500640-B2 Alzheimer's disease assay in a living patient PAIN THERAPEUTICS, INC. (US) 2016-11-22 US disclosed
US-9433604-B2 Method for inhibiting growth of cancer cells PAIN THERAPEUTICS INC. (US) 2016-09-06 US disclosed
US-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC BURNS BARBIER LINDSAY (US) 2016-09-01 US disclosed
US-9354223-B2 Alzheimer's disease assay in a living patient PAIN THERAPEUTICS INC. (US) 2016-05-31 US disclosed
US-9340558-B2 Filamin a binding anti-inflammatory and analgesic PAIN THERAPEUTICS INC. (US) 2016-05-17 US disclosed
US-20150148318-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS PAIN THERAPEUTICS, INC. 2015-05-28 US disclosed
US-20140017699-A1 ALZHEIMER'S DISEASE ASSAY IN A LIVING PATIENT CASSAVA SCIENCES, INC. 2014-01-16 US disclosed
US-20140017698-A1 ALZHEIMER'S DISEASE ASSAY IN A LIVING PATIENT WANG HOAU-YAN (US) 2014-01-16 US disclosed
US-20140018341-A1 METHOD OF INHIBITING TAU PHOSPHORYLATION CASSAVA SCIENCES, INC. 2014-01-16 US disclosed
US-8580809-B2 Filamin A-binding anti-inflammatory analgesic PAIN THERAPEUTICS, INC. (US) 2013-11-12 US disclosed
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 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 (6 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-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 CHRM2 1449/4885CHRM3 1430/4885RIPK1 3935/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 CHRM2 1947/4885CHRM3 2139/4885RIPK1 4312/4885
US-20140018341-A1 METHOD OF INHIBITING TAU PHOSPHORYLATION FLNA, FLNB, MAPT CHRM2 2961/4885CHRM3 3059/4885RIPK1 466/4885
US-11661580-B2 Method of inhibiting tau phosphorylation FLNA, FLNB, MAPT CHRM2 2961/4885CHRM3 3059/4885RIPK1 466/4885
US-10017736-B2 Method of inhibiting tau phosphorylation FLNA, FLNB, MAPT CHRM2 2961/4885CHRM3 3059/4885RIPK1 466/4885
US-20150148318-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS FLNA, FLNB, FSCN1 CHRM2 3080/4885CHRM3 3501/4885RIPK1 1107/4885

“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.