SCHEMBL962850

SCHEMBL962850

O=C(O)C(CCCCCl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.52
CYP2C19 P33261 1/20 0.50
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
AMPD2 Q01433 1/20 0.43
POLB P06746 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX1 P07099 1/20 0.42
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 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
SCHEMBL8868237 0.98 TBXAS1 (0.55) TBXAS1CYP2C19CYP2D6SRCAMPD2
SCHEMBL2364634 0.96 CYP2C19 (0.50) TBXAS1CYP2C19CYP2D6SRCPOLB
SCHEMBL27456894 0.91 TBXAS1 (0.44) TBXAS1CYP2C19CYP2D6SRCPOLB
SCHEMBL14360139 0.90 TBXAS1 (0.60) TBXAS1CYP2C19CYP2D6SRCPOLB
SCHEMBL909284 0.88 CYP2C19 (0.53) TBXAS1CYP2C19CYP2D6SRCPOLB
Ammonia Solution, Strong SCHEMBL28562956 0.88 TBXAS1 (0.59) TBXAS1CYP2C19CYP2D6SRCPOLB
Ammonia Solution, Strong SCHEMBL28556745 0.88 TBXAS1 (0.59) TBXAS1CYP2C19CYP2D6SRCPOLB
SCHEMBL7830236 0.88 CYP2C19 (0.53) TBXAS1CYP2C19CYP2D6SRCPOLB
Hydrochloric Acid SCHEMBL908468 0.86 CYP2C19 (0.52) TBXAS1CYP2C19CYP2D6SRCPOLB
SCHEMBL961245 0.85 POLB (0.50) TBXAS1CYP2C19CYP2D6POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941147-B2 Bicyclic heteroaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2021-03-09 US disclosed
US-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-20190284191-A1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-09-19 US disclosed
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
CN-102356081-A Bicyclic compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2012-02-15 CN disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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 (4 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-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HUWE1, APP, PSEN1 TBXAS1 363/4885CYP2C19 2884/4885CYP2D6 3086/4885
US-20190284191-A1 BICYCLIC HETEROARYL DERIVATIVES HUWE1, APP, HTT TBXAS1 1410/4885CYP2C19 3283/4885CYP2D6 1846/4885
US-10941147-B2 Bicyclic heteroaryl derivatives HUWE1, APP, HTT TBXAS1 1410/4885CYP2C19 3283/4885CYP2D6 1846/4885
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 TBXAS1 1509/4885CYP2C19 2868/4885CYP2D6 2252/4885

“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.