SCHEMBL13044185

SCHEMBL13044185

CC(C)C(=O)c1cc(-c2ccccc2)no1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ PTPN1 P18031 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 4/20 0.47
▸ NOTUM Q6P988 1/20 0.46
▸ RORC P51449 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ADORA1 P30542 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ TP53 P04637 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
Piperidine SCHEMBL27353218 0.88 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4805 0.81 RAB9A (0.69) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28091339 0.81 RAB9A (0.68) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL212382 0.81 RAB9A (0.68) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14019902 0.80 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8879495 0.80 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8880218 0.80 RAB9A (0.66) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8878334 0.79 SMN1; SMN2 (0.65) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8880846 0.79 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3045808 0.78 RAB9A (0.64) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1

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
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 — — US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 — — US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 — — US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 — — US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 — — US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 — — 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 RAB9A 1940/4885SMN1; SMN2 3850/4885MEN1 3015/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 RAB9A 1940/4885SMN1; SMN2 3850/4885MEN1 3015/4885

“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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