SCHEMBL1990437

SCHEMBL1990437

CC(=O)N1CCc2[nH]c3c(C=Cc4ccc(C)nc4)cccc3c2C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 12/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
CFTR P13569 2/20 0.43
CTSK P43235 1/20 0.40
CREBBP Q92793 2/20 0.39
BRD4 O60885 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
EP300 Q09472 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL1990436 1.00 BAZ2B (0.49) BAZ2BLMNAMAPTCFTRCTSK
SCHEMBL1988307 0.90 LMNA (0.48) BAZ2BLMNAMAPTCFTRCTSK
SCHEMBL1988306 0.90 LMNA (0.48) BAZ2BLMNAMAPTCFTRCTSK
SCHEMBL1986128 0.89 KMT2A (0.46) BAZ2BLMNAMAPTCFTRCTSK
SCHEMBL1986126 0.89 KMT2A (0.46) BAZ2BLMNAMAPTCFTRCTSK
SCHEMBL1992066 0.85 CHRNA7 (0.44) CFTR
SCHEMBL1992069 0.85 CHRNA7 (0.44) CFTR
SCHEMBL1987946 0.77 TAAR1 (0.47) TAAR1
SCHEMBL1987945 0.77 TAAR1 (0.47) TAAR1
SCHEMBL1989220 0.75 PADI4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809532-B2 Aza-ring fused indole and indoline derivatives ABBVIE INC. (US) 2014-08-19 US claimed
US-20110152308-A1 AZA-RING FUSED INDOLE AND INDOLINE DERIVATIVES ABBOTT LABORATORIES (US) 2011-06-23 US claimed
US-8809532-B2 Aza-ring fused indole and indoline derivatives ABBVIE INC. (US) 2014-08-19 US disclosed
US-20110152308-A1 AZA-RING FUSED INDOLE AND INDOLINE DERIVATIVES ABBOTT LABORATORIES (US) 2011-06-23 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-20110152308-A1 AZA-RING FUSED INDOLE AND INDOLINE DERIVATIVES INMT, IDO1, IDO2 BAZ2B 408/4885LMNA 2106/4885MAPT 2313/4885

“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.