SCHEMBL12333454

SCHEMBL12333454

CCc1cccc(C(=O)NCCN(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.55
▸ PARP1 P09874 1/20 0.54
▸ MRGPRX4 Q96LA9 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ TMEM97 Q5BJF2 3/20 0.52
▸ SIGMAR1 Q99720 3/20 0.52
▸ SMYD3 Q9H7B4 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ FYN P06241 1/20 0.48

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
SCHEMBL13060639 0.92 FYN (0.55) USP2PARP1SMN1; SMN2ALDH1A1TMEM97
SCHEMBL12055875 0.92 SIGMAR1 (0.59) PARP1SMN1; SMN2ALDH1A1TMEM97SIGMAR1
SCHEMBL23889139 0.89 SMN1; SMN2 (0.54) USP2PARP1MRGPRX4SMN1; SMN2ALDH1A1
SCHEMBL5109753 0.87 LOXL2 (0.54) PARP1MRGPRX4SMN1; SMN2ALDH1A1TMEM97
SCHEMBL22754705 0.86 PARP1 (0.54) PARP1MRGPRX4SMN1; SMN2ALDH1A1TMEM97
SCHEMBL20646968 0.85 SMN1; SMN2 (0.57) PARP1MRGPRX4SMN1; SMN2ALDH1A1TMEM97
SCHEMBL19634802 0.85 PARP1 (0.53) PARP1MRGPRX4ALDH1A1TMEM97SIGMAR1
SCHEMBL16248158 0.84 L3MBTL1 (0.69) SMN1; SMN2ALDH1A1SMYD3MAPK1LMNA
SCHEMBL13060801 0.84 FYN (0.55) PARP1SMN1; SMN2ALDH1A1TMEM97SIGMAR1
SCHEMBL9490800 0.83 HDAC3 (0.66) SMN1; SMN2TMEM97SIGMAR1SMYD3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — US disclosed
US-8022222-B2 Glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 — — US disclosed
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-04-22 — — US disclosed
US-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 — — US disclosed
US-20090270381-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2009-10-29 — — US disclosed
US-20090247526-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-10-01 — — US disclosed
WO-2009077186-A1 NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESLLSCHAFT (DE) 2009-06-25 — — WO disclosed
EP-2070909-A1 Non-steroidal progesterone receptor modulators Bayer Schering Pharma AG (DE) 2009-06-17 — — EP disclosed
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 — — US disclosed
WO-2008077646-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-03 — — WO 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 (6 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-20090270381-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 USP2 4162/4885PARP1 2340/4885MRGPRX4 478/4885
US-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 USP2 4456/4885PARP1 1493/4885MRGPRX4 429/4885
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 USP2 4242/4885PARP1 2455/4885MRGPRX4 367/4885
US-20090247526-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 USP2 3323/4885PARP1 3448/4885MRGPRX4 2743/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 USP2 2847/4885PARP1 4037/4885MRGPRX4 42/4885
US-20100099713-A1 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 USP2 3826/4885PARP1 1707/4885MRGPRX4 3052/4885

“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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