SCHEMBL1753786

SCHEMBL1753786

COc1cc([C@@H](C)N)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.62
BLM P54132 2/20 0.60
PMP22 Q01453 1/20 0.60
TSHR P16473 3/20 0.59
CYP3A4 P08684 1/20 0.59
NPSR1 Q6W5P4 1/20 0.57
SLC22A3 O75751 1/20 0.55
MAOB P27338 1/20 0.53
FOS P01100 1/20 0.51
TTR P02766 1/20 0.51
JUN P05412 1/20 0.51
NR3C1 P04150 1/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
BCHE P06276 2/20 0.51
TYR P14679 2/20 0.51
ACHE P22303 2/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP19A1 P11511 1/20 0.49

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
SCHEMBL714835 1.00 NFKB1 (0.62) NFKB1BLMPMP22TSHRCYP3A4
Hydrochloric Acid SCHEMBL2108926 0.98 BLM (0.63) NFKB1BLMPMP22TSHRCYP3A4
Hydrochloric Acid SCHEMBL2108923 0.98 BLM (0.63) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL3140349 0.85 TUBB4A (0.56) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL21852873 0.84 TSHR (0.62) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL29625307 0.84 TSHR (0.62) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL2411502 0.84 TSHR (0.62) NFKB1BLMPMP22TSHRCYP3A4
SCHEMBL14609575 0.83 NFKB1 (0.60) NFKB1BLMPMP22TSHRCYP3A4
Methylamine SCHEMBL4826800 0.83 NFKB1 (0.65) NFKB1BLMPMP22TSHRCYP3A4
Hydrochloric Acid SCHEMBL3563549 0.83 TUBB4A (0.54) NFKB1BLMPMP22TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
EP-2222631-B1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-08-17 EP disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 US disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 US disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 US disclosed
WO-2008050199-A2 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-02 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 (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-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS TRPV1, P2RY1, TRPV2 NFKB1 1356/4885BLM 4562/4885PMP22 226/4885

“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.