SCHEMBL2910972

SCHEMBL2910972

CCC(C)C(=O)NCc1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.56
▸ ANPEP P15144 1/20 0.56
▸ TSHR P16473 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ P2RX7 Q99572 3/20 0.45
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL2904265 0.87 ANPEP (0.61) RIPK1ANPEPALDH1A1KMT2AEPHX2
SCHEMBL31425839 0.84 ANPEP (0.58) RIPK1ANPEPTSHRALDH1A1KMT2A
SCHEMBL13212299 0.83 TSHR (0.52) TSHRALDH1A1KMT2A
SCHEMBL2913379 0.81 ALDH1A1 (0.75) ANPEPTSHRALDH1A1KMT2ANPC1
SCHEMBL2910863 0.81 SLC1A2 (0.59) RIPK1TSHRALDH1A1LMNAMAPT
SCHEMBL1397074 0.80 RIPK1 (0.55) RIPK1ANPEPTSHRALDH1A1KMT2A
SCHEMBL12863555 0.79 ANPEP (0.56) ANPEPTSHRALDH1A1KMT2AMAPT
SCHEMBL21004152 0.79 TSHR (0.80) ANPEPTSHRALDH1A1KMT2ANPC1
SCHEMBL2749015 0.78 RIPK1 (0.52) RIPK1ANPEPTSHRALDH1A1KMT2A
SCHEMBL2905338 0.77 RIPK1 (0.62) RIPK1ANPEPALDH1A1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1586552-B1 PROCESS FOR PRODUCING BENZYLAMINE DERIVATIVE IHARA CHEMICAL IND CO (JP) 2010-08-25 — — EP disclosed
CN-100503551-C Process for producing benzylamine derivative IHARA CHEMICAL IND CO (JP) 2009-06-24 — — CN disclosed
US-7326813-B2 Process for producing benzylamine derivative IHARA CHEMICAL INDUSTRY (JP) 2008-02-05 — — US disclosed
US-20060155141-A1 Process for producing benzylamine derivative ITO AKINORI 2006-07-13 — — US disclosed
CN-1802343-A Process for producing benzylamine derivative IHARA CHEMICAL IND CO (JP) 2006-07-12 — — CN disclosed
EP-1586552-A1 PROCESS FOR PRODUCING BENZYLAMINE DERIVATIVE IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-10-19 — — EP 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-20060155141-A1 Process for producing benzylamine derivative BRD7, BRD1, BRD2 RIPK1 4019/4885ANPEP 1249/4885TSHR 513/4885

“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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