SCHEMBL2950453

SCHEMBL2950453

COC(=O)[C@H]1CC[C@H](C(=O)N2CCOCC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
TSHR P16473 2/20 0.55
POLB P06746 2/20 0.55
HPGD P15428 2/20 0.55
RECQL P46063 1/20 0.55
PKM P14618 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL2950454 1.00 SMN1; SMN2 (0.63) SMN1; SMN2TSHRPOLBHPGDRECQL
SCHEMBL11158442 0.85 TSHR (0.65) SMN1; SMN2TSHRPOLBHPGDRECQL
SCHEMBL20323496 0.84 SMN1; SMN2 (0.74) SMN1; SMN2TSHRPOLBHPGDHTT
SCHEMBL21061603 0.84 SMN1; SMN2 (0.74) SMN1; SMN2TSHRPOLBHPGDHTT
SCHEMBL2944875 0.84 SMN1; SMN2 (0.74) SMN1; SMN2TSHRPOLBHPGDHTT
SCHEMBL2944877 0.84 SMN1; SMN2 (0.74) SMN1; SMN2TSHRPOLBHPGDHTT
SCHEMBL28451178 0.82 SMN1; SMN2 (0.77) SMN1; SMN2TSHRPOLBHPGDHTT
SCHEMBL28451180 0.82 SMN1; SMN2 (0.77) SMN1; SMN2TSHRPOLBHPGDHTT
SCHEMBL31461526 0.82 SMN1; SMN2 (0.46) SMN1; SMN2TSHRPOLBHPGDRECQL
SCHEMBL21061407 0.81 SMN1; SMN2 (0.65) SMN1; SMN2TSHRPOLBHPGDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111479813-B Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2023-03-21 CN disclosed
EP-3724192-B1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2022-08-03 EP disclosed
US-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists RICHTER GEDEON NYRT. (HU) 2022-04-12 US disclosed
EP-3724192-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS Richter Gedeon Nyrt. (HU) 2020-10-21 EP disclosed
CN-111479813-A Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2020-07-31 CN disclosed
WO-2019116324-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2019-06-20 WO disclosed
US-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 US disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed
US-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-20060287329-A1 Amide type carboxamide derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-12-21 US disclosed
US-20060247273-A1 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-11-02 US disclosed
EP-1666455-A1 AMIDE TYPE CARBOXAMIDE DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 2006-06-07 EP disclosed
EP-1666478-A1 CARBAMOYL-TYPE BENZOFURAN DERIVATIVES TANABE SEIYAKU CO., LTD. (JP) 2006-06-07 EP disclosed
US-20060094724-A1 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1582521-A1 FUSED FURAN COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-10-05 EP disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 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 (7 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 SMN1; SMN2 2153/4885TSHR 4334/4885POLB 3110/4885
US-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists AVPR1B, AVPR1A, AVPR2 SMN1; SMN2 4312/4885TSHR 223/4885POLB 3019/4885
US-20060287329-A1 Amide type carboxamide derivative F12, F11, F13A1 SMN1; SMN2 3486/4885TSHR 490/4885POLB 4132/4885
US-20060247273-A1 Carbamoyl-type benzofuran derivatives F12, F2, F3 SMN1; SMN2 4587/4885TSHR 1235/4885POLB 3605/4885
US-20090156803-A1 Condensed furan compounds F2, F12, F11 SMN1; SMN2 4447/4885TSHR 3368/4885POLB 2463/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 SMN1; SMN2 4490/4885TSHR 3045/4885POLB 3282/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 SMN1; SMN2 1607/4885TSHR 4202/4885POLB 3067/4885

“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.