SCHEMBL3958786

SCHEMBL3958786

NC(=O)N1CC(CCBr)c2cc(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 1/20 0.38
▸ PRKACG P22612 1/20 0.38
▸ PRKACB P22694 1/20 0.38
▸ AMPD2 Q01433 2/20 0.37
▸ NOTUM Q6P988 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ DPP8 Q6V1X1 2/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31

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
SCHEMBL3958781 1.00 PRKACA (0.38) PRKACAPRKACGPRKACBAMPD2NOTUM
SCHEMBL7214657 0.87 NOTUM (0.45) NOTUMPOLBNPC1ALDH1A1HTT
SCHEMBL3960711 0.81 PRKACA (0.55) PRKACAPRKACGPRKACBAMPD2NOTUM
SCHEMBL3956712 0.81 PRKACA (0.55) PRKACAPRKACGPRKACBAMPD2NOTUM
SCHEMBL14608536 0.76 NOTUM (0.45) AMPD2NOTUMPOLBNPC1ALDH1A1
SCHEMBL7220138 0.72 NOTUM (0.43) PRKACAPRKACGPRKACBNOTUMPOLB
SCHEMBL3963409 0.70 HTR7 (0.45) —
SCHEMBL13791446 0.69 HTR1A (0.37) ALDH1A1
SCHEMBL3956520 0.67 NOTUM (0.59) PRKACAPRKACGPRKACBAMPD2NOTUM
SCHEMBL27718820 0.65 GPR119 (0.38) —

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-7544685-B2 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2009-06-09 — — US disclosed
US-20070043058-A1 Novel 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2007-02-22 — — 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 (1 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-20070043058-A1 Novel 2,3-dihydroindole compounds HTR2C, HTR2A, HTR5A PRKACA 4312/4885PRKACG 4552/4885PRKACB 4477/4885

“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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