Sugi Predict

Sugi Predict / Compounds / SCHEMBL315045

SCHEMBL315045

SCHEMBL315045

[CH2]CCc1ccc2c(c1)OCCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.52
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ LMNA P02545 6/20 0.46
▸ HTT P42858 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ THRB P10828 1/20 0.46
▸ CALM1 P0DP23 2/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAOA P21397 1/20 0.42

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
SCHEMBL3023636 0.92 TAAR1 (0.49) TAAR1CYP2D6MAPTCYP1A2CYP3A4
SCHEMBL273041 0.88 TAAR1 (0.67) TAAR1CYP2D6MAPTCYP1A2CYP3A4
SCHEMBL3021772 0.85 HDAC1 (0.48) TAAR1CYP2D6MAPTCYP1A2CYP3A4
SCHEMBL2369137 0.83 CYP2D6 (0.50) TAAR1CYP2D6MAPTCYP1A2CYP3A4
SCHEMBL4081586 0.80 TAAR1 (0.52) TAAR1CYP2D6MAPTLMNAHTT
SCHEMBL28430686 0.80 TAAR1 (0.56) TAAR1CYP2D6MAPTLMNAHTT
SCHEMBL8255914 0.80 TAAR1 (0.52) TAAR1CYP2D6MAPTLMNAHTT
SCHEMBL3777135 0.80 TAAR1 (0.52) TAAR1CYP2D6CYP3A4LMNAHTT
SCHEMBL1253622 0.80 TAAR1 (0.79) TAAR1CYP2D6MAPTLMNAHTT
SCHEMBL5657606 0.80 TAAR1 (0.52) TAAR1CYP2D6MAPTLMNAHTT

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102656163-A Heterocyclic compounds for the inhibition of PASK BIOENERGENIX 2012-09-05 — — CN claimed
CN-102656163-A Heterocyclic compounds for the inhibition of PASK BIOENERGENIX 2012-09-05 — — CN disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 — — US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 — — US disclosed
CN-1206228-C N-heterocyclic derivatives as NOS inhibitors BERLEX LAB (US) 2005-06-15 — — CN disclosed
US-6887865-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-05-03 — — US disclosed
US-6864368-B2 N-heterocyclic derivatives as NOS inhibitors BERLAX LABORATORIES, INC. (US) 2005-03-08 — — US disclosed
US-6864263-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-03-08 — — US disclosed
US-6849739-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-02-01 — — US disclosed
US-6846829-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-01-25 — — US disclosed
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-01-02 — — US disclosed
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-12-05 — — US disclosed
CN-1382136-A N-heterocyclic derivatives as NOS inhibitors BERLEX LAB (US) 2002-11-27 — — CN disclosed
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-11-07 — — US disclosed
US-6432947-B1 NERVOUS SYSTEM DISORDERS; MUSCLE RELAXANTS; ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2002-08-13 — — US disclosed
EP-1206467-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2002-05-22 — — EP disclosed
WO-2001014371-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2001-03-01 — — WO disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 — — US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 — — US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 — — 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 (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-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 TAAR1 1040/4885CYP2D6 139/4885MAPT 3264/4885
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 TAAR1 1040/4885CYP2D6 139/4885MAPT 3264/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 TAAR1 1648/4885CYP2D6 801/4885MAPT 4518/4885
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 TAAR1 1040/4885CYP2D6 139/4885MAPT 3264/4885

“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.