SCHEMBL3103404

SCHEMBL3103404

Cc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)OC(=O)[C@H]4CCCN4)cc3)cc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ POLB P06746 1/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ RET P07949 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ BLK P51451 1/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ STK3 Q13188 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ TAOK1 Q7L7X3 1/20 0.41
▸ HIPK4 Q8NE63 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41

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
SCHEMBL3094868 0.87 ALDH1A1 (0.41) NPC1RAB9AKDRDHODHALDH1A1
SCHEMBL3094429 0.86 MAPT (0.41) NPC1RAB9ADHODHALDH1A1KMT2A
SCHEMBL3094855 0.86 MAPT (0.41) NPC1RAB9ADHODHALDH1A1KMT2A
SCHEMBL3095860 0.86 EPHX1 (0.45) NPC1RAB9APOLBKDRKMT2A
SCHEMBL3092727 0.84 HTR2C (0.46) RAB9AKMT2AMAPTMEN1
SCHEMBL3103296 0.84 MAPT (0.46) NPC1RAB9APOLBKDRALDH1A1
SCHEMBL3097301 0.82 NPC1 (0.42) NPC1RAB9APOLBROCK2MAP4K4
SCHEMBL3084129 0.81 NPC1 (0.44) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL3105688 0.81 DGAT1 (0.40) NPC1ALDH1A1KMT2ASMN1; SMN2EPHX2
SCHEMBL3100609 0.81 MEN1 (0.44) POLBKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 — — US claimed
US-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 — — US claimed
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 — — 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-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BCAT2, BCAT1, FABP4 NPC1 2959/4885RAB9A 1741/4885POLB 3623/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 NPC1 2959/4885RAB9A 1741/4885POLB 3623/4885

“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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