SCHEMBL3387264

SCHEMBL3387264

COCCN1c2ccc(F)cc2SC1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPT P10636 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5047390 0.90 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL5044112 0.86 KDM4E (0.35) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL5050834 0.82 DRD2 (0.37) ALDH1A1KDM4EHPGDTDP1GLA
SCHEMBL3386305 0.82 BCHE (0.41) ALDH1A1KDM4EHPGDMAPTGLA
SCHEMBL5049724 0.72 ACKR3 (0.42) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL11326295 0.68 SMN1; SMN2 (0.40) ALDH1A1KDM4EHPGDL3MBTL1HSD17B10
SCHEMBL5047399 0.67 KDM4E (0.37) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL3418222 0.67 SMN1; SMN2 (0.37) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL5049714 0.66 RECQL (0.37) TDP1L3MBTL1RECQLNR3C2MEN1
SCHEMBL3918304 0.64 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDTDP1MAPT

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 5 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-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-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 (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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 898/4885KDM4E 2095/4885HPGD 2262/4885
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 ALDH1A1 81/4885KDM4E 3198/4885HPGD 676/4885

“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.

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