SCHEMBL1444985

SCHEMBL1444985

NC(CO)c1ccc(C(N)CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.41
SLC6A4 P31645 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.35
SCN4A P35499 2/20 0.34
TAAR1 Q96RJ0 2/20 0.33
HTR3A P46098 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
HIF1A Q16665 1/20 0.33
F2 P00734 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31

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
SCHEMBL3041323 0.89 TAAR1 (0.48) CYP1A2CYP2D6CYP2C19TAAR1HTR3A
SCHEMBL25354683 0.89 TAAR1 (0.48) CYP1A2CYP2D6CYP2C19TAAR1HTR3A
SCHEMBL9682953 0.89 TAAR1 (0.48) CYP1A2CYP2D6CYP2C19TAAR1HTR3A
SCHEMBL10864211 0.89 MEN1 (0.40) ANPEPSLC6A4TSHRHIF1AALOX15
SCHEMBL57487 0.87 IDO1 (0.43)
SCHEMBL393010 0.87 ADRB2 (0.50) SLC6A4CYP1A2CYP2D6CYP2C19SCN4A
Hydrochloric Acid SCHEMBL15797891 0.87 ALOX15 (0.50) CYP1A2CYP2D6CYP2C19TAAR1HTR3A
SCHEMBL12195403 0.87 CHRNA7 (0.39) ANPEPSLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL17619269 0.87 CHRNA7 (0.39) ANPEPSLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL3636547 0.87 CHRNA7 (0.39) ANPEPSLC6A4CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-8217193-B2 Modified fatty acid esters and method of preparation thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2012-07-10 US disclosed
WO-2011034569-A1 NOVEL MODIFIED FATTY ACID ESTERS AND METHOD OF PREPARATION THEREOF MICHIGAN STATE UNIVERSITY (US) 2011-03-24 WO disclosed
US-20100084603-A1 Novel modified fatty acid esters and method of preparation thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-04-08 US disclosed
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-01-21 US disclosed
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-01-21 US disclosed
US-7589222-B2 Triglycerides and method of preparation thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-09-15 US disclosed
WO-2008096360-A2 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2008-08-14 WO disclosed
EP-1861351-A2 NOVEL TRIGLYCERIDES AND METHOD OF PREPARATION THEREOF MICHIGAN STATE UNIVERSITY (US) 2007-12-05 EP disclosed
EP-0341375-A2 Compatible polyol blends for high modulus polyurethane compositions Ashland Oil, Inc. (US) 1989-11-15 EP disclosed
US-4839087-A RECEPTIVITY; POLYURETHANE AND POLYETHERURETHANE MOLDING MATERIALS ASHLAND OIL, INC. (US) 1989-06-13 US disclosed
US-4826885-A REACTION INJECTION MOLDING ASHLAND OIL, INC. (US) 1989-05-02 US disclosed
US-4786435-A PHENOLIC STABILIZER, USED IN PREPARATION OF POLYURETHANES ASHLAND OIL, INC. (US) 1988-11-22 US disclosed
US-4755321-A Incorporating compatibilizing salt into blend of long chain polyol and short chain glycol ASHLAND OIL, INC. (US) 1988-07-05 US disclosed
EP-0268906-A2 Compatibilized blends of alpha, omega-alkylene glycols and polyether polyols and process for preparing the same THE DOW CHEMICAL COMPANY (US) 1988-06-01 EP disclosed
EP-0139212-B1 COMPATIBLE POLYOL BLENDS THE DOW CHEMICAL COMPANY (US) 1987-12-09 EP disclosed
US-4673696-A STORAGE STABLE LONG CHAIN POLYOL, SHORT CHAIN DIOL, ESTEROL; REACTION INJECTION MOLDED POLYURETHANES ASHLAND OIL, INC. (US) 1987-06-16 US disclosed
US-4485032-A WITH ETHYLENE GLYCOL, UREA OR SUBSTITUTED UREA; STORAGE STABILITY THE DOW CHEMICAL COMPANY (US) 1984-11-27 US disclosed
US-4220732-A Microcellular polyurethane foams BASF WYANDOTTE CORPORATION (US) 1980-09-02 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 (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-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS DYNLL2, ATXN2L, DYNLL1 ANPEP 4767/4885SLC6A4 3909/4885CYP1A2 4681/4885

“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.