SCHEMBL967835

SCHEMBL967835

COCCn1c(=N)sc2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.53
ALDH1A1 P00352 7/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 4/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
PKM P14618 2/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 2/20 0.35
FPR1 P21462 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
PTGER4 P35408 1/20 0.34
HK1 P19367 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
Bromide SCHEMBL3387300 0.99 NPSR1 (0.52) NPSR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL961718 0.89 NPSR1 (0.42) NPSR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL5044103 0.82 ALDH1A1 (0.38) NPSR1ALDH1A1MAPTSMN1; SMN2HPGD
Bromide SCHEMBL965108 0.81 ALDH1A1 (0.37) NPSR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL3386303 0.79 F12 (0.54) ALDH1A1SMN1; SMN2HPGDTSHRTP53
SCHEMBL5050831 0.79 KDM4E (0.53) NPSR1ALDH1A1MAPTSMN1; SMN2HPGD
Bromide SCHEMBL964193 0.78 F12 (0.53) ALDH1A1SMN1; SMN2HPGDTSHRTP53
SCHEMBL3386154 0.71 NPSR1 (0.64) NPSR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL5127454 0.71 NPSR1 (0.64) NPSR1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL3386158 0.71 NPSR1 (0.64) NPSR1ALDH1A1MAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 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 (4 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-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 NPSR1 8/4885ALDH1A1 1171/4885MAPT 2320/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 NPSR1 8/4885ALDH1A1 1171/4885MAPT 2320/4885
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 NPSR1 4/4885ALDH1A1 898/4885MAPT 2644/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 NPSR1 183/4885ALDH1A1 81/4885MAPT 1465/4885

“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.