SCHEMBL3416633

SCHEMBL3416633

CCCCOC(=O)NCc1cc(OC)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
TRPV1 Q8NER1 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ESR1 P03372 2/20 0.41
NPC1 O15118 1/20 0.41
CASP1 P29466 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL3416627 0.81 RIPK1 (0.52) TSHRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3594266 0.79 MEN1 (0.47) GAAMAPTNPC1RAB9AHPGD
SCHEMBL3416247 0.79 GFER (0.46) NPC1RAB9AHPGDL3MBTL1
SCHEMBL6496382 0.79 ALDH1A1 (0.51) TSHRCNR1CNR2GAAMAPT
SCHEMBL16696334 0.78 FAAH (0.56) CNR1CNR2GAANPC1RAB9A
SCHEMBL6498349 0.75 TSHR (0.60) TSHRGAANPC1RAB9AHPGD
SCHEMBL8052157 0.74 P2RX7 (0.47) MTNR1B
SCHEMBL29925080 0.74 TSHR (0.58) TSHRESR1NPC1RAB9ASMN1; SMN2
SCHEMBL13387445 0.73 FAAH (0.58) TSHRNPC1CASP1RAB9ASMN1; SMN2
SCHEMBL27480325 0.73 ERBB2 (0.44) MTNR1AMTNR1BESR1

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-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR TSHR 322/4885CNR1 43/4885CNR2 119/4885

“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.