SCHEMBL1455874

SCHEMBL1455874

O=[C]OCCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
HRH3 Q9Y5N1 1/20 0.46
LMNA P02545 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 1/20 0.42
NAAA Q02083 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
SCHEMBL4334481 0.89 HRH1 (0.50) HRH1CA12CA1CA2CA9
SCHEMBL5536476 0.88 HRH1 (0.53) HRH1CA12CA1CA2CA9
SCHEMBL5544614 0.86 HRH1 (0.56) HRH1CA12CA1CA2CA9
SCHEMBL5252524 0.86 HRH1 (0.56) HRH1CA12CA1CA2CA9
SCHEMBL7770374 0.81 HRH1 (0.50) HRH1CA12CA1CA2CA9
SCHEMBL444168 0.81 SMN1; SMN2 (0.49) HRH1LMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL9411278 0.79 CA12 (0.47) HRH1CA12CA1CA2CA9
SCHEMBL8741255 0.79 CA12 (0.47) HRH1CA12CA1CA2CA9
SCHEMBL7449287 0.78 HRH1 (0.59) HRH1CA12CA1CA2CA9
SCHEMBL1263459 0.76 NAAA (0.35) NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP claimed
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP disclosed
US-11066430-B2 Method for producing polyalkylene glycol derivative having amino group at end SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-07-20 US disclosed
EP-3434713-B1 METHODS OF PREPARING AND PURIFYING POLYALKYLENE GLYCOL DERIVATIVES SHINETSU CHEMICAL CO (JP) 2021-06-09 EP disclosed
US-10836861-B2 Methods of preparing and purifying polyalkylene glycol derivative SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-11-17 US disclosed
US-10550136-B2 Method for producing polyalkylene glycol derivative having amino group at end SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-02-04 US disclosed
US-10472377-B2 Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-11-12 US disclosed
US-20190322688-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END SHINETSU CHEMICAL CO (JP) 2019-10-24 US disclosed
US-20190315777-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END SHINETSU CHEMICAL CO (JP) 2019-10-17 US disclosed
US-10377775-B2 Method for producing polyalkylene glycol derivative having amino group at end SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-08-13 US disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
WO-1993018003-A1 SUBSTITUED PIPECOLINIC ACID DERIVATIVES AS HIV PROTEASE INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO disclosed
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP disclosed
EP-0488301-A1 New benzopyran compounds with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-03 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed
EP-0309841-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1989-04-05 EP disclosed
EP-0292800-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-11-30 EP 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-10377775-B2 Method for producing polyalkylene glycol derivative having amino group at end KCNMA1, KCNMB1, KCNMB4 HRH1 1456/4885CA12 2278/4885CA1 1131/4885
US-11066430-B2 Method for producing polyalkylene glycol derivative having amino group at end RAD1, AP3B1, RER1 HRH1 1738/4885CA12 1807/4885CA1 977/4885
US-10472377-B2 Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator ADH1A, ADH1C, AP3M1 HRH1 793/4885CA12 1927/4885CA1 782/4885
US-10550136-B2 Method for producing polyalkylene glycol derivative having amino group at end RAD1, AP3B1, RER1 HRH1 1728/4885CA12 1767/4885CA1 932/4885
US-20190315777-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END KCNMA1, KCNMB1, KCNMB4 HRH1 1456/4885CA12 2239/4885CA1 1092/4885
US-20190322688-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END RAD1, AP3B1, RER1 HRH1 1738/4885CA12 1807/4885CA1 977/4885

“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.