SCHEMBL1496008

SCHEMBL1496008

Cc1ccc(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
CYP2C19 P33261 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GPR119 Q8TDV5 1/20 0.51
ALDH1A1 P00352 6/20 0.49
TERT O14746 1/20 0.48
HTR2A P28223 2/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.45
ADRB2 P07550 1/20 0.44

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
Hydrochloric Acid SCHEMBL5552655 0.92 KMT2A (0.52) KMT2AMEN1CHRM2CHRM4CHRM1
SCHEMBL17180311 0.88 HTR2A (0.57) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL5819280 0.88 KMT2A (0.64) KMT2AMEN1CHRM2CHRM4CHRM1
SCHEMBL3564334 0.88 CHRM3 (0.62) KMT2AMEN1CHRM2CHRM4CHRM1
SCHEMBL29031230 0.85 KMT2A (0.50) KMT2AMEN1CHRM2CHRM4CHRM1
SCHEMBL29031234 0.85 KMT2A (0.50) KMT2AMEN1CHRM2CHRM4CHRM1
SCHEMBL30702493 0.82 CHRM2 (0.50) KMT2AMEN1CHRM2CHRM4CHRM1
SCHEMBL29839089 0.82 KMT2A (0.51) KMT2AMEN1CHRM2CHRM4CHRM1
SCHEMBL26923721 0.82 KMT2A (0.51) KMT2AMEN1CHRM2CHRM4CHRM1
SCHEMBL29188760 0.81 KMT2A (0.70) KMT2AMEN1CYP2C19SMN1; SMN2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396245-A Pleuromutilin derivatives and process for preparing same 西北工业大学宁波研究院 2023-07-07 CN claimed
CN-116396245-A Pleuromutilin derivatives and process for preparing same 西北工业大学宁波研究院 2023-07-07 CN disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
CN-102617580-B Vasopressin v1a antagonists VANTIA LTD 2015-03-04 CN disclosed
CN-102617580-A Vasopressin V1a Antagonists FERRING BV 2012-08-01 CN disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
CN-101563347-A Vasopressin V1a antagonists VANTIA LTD (GB) 2009-10-21 CN disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 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 (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-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B KMT2A 2204/4885MEN1 977/4885CHRM2 2807/4885

“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.