SCHEMBL700886

SCHEMBL700886

O=C(O)[C@H]1CC[C@H](C(=O)N2CCNCC2)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.84
CHRNA3 P32297 5/20 0.84
CHRNA4 P43681 5/20 0.84
CHRNB3 Q05901 3/20 0.84
CHRNA6 Q15825 3/20 0.84
TSHR P16473 3/20 0.56
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
GABRE P78334 1/20 0.56
PMP22 Q01453 1/20 0.56
GABRA6 Q16445 1/20 0.56

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
SCHEMBL700681 1.00 CHRNB2 (0.84) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8314 0.92 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL1018088 0.90 CHRNB2 (0.95) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Piperazine SCHEMBL28221523 0.90 CHRNB2 (0.95) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3919731 0.86 TSHR (0.65) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL29746376 0.86 CHRNB2 (0.81) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1706180 0.85 CHRNB2 (0.87) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26126254 0.84 CHRNB2 (0.84) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL911817 0.83 CHRNB2 (0.83) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL911091 0.83 CHRNB2 (0.83) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US claimed
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP claimed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO claimed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US claimed
US-20240018162-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS, INC. 2024-01-18 US disclosed
WO-2023086399-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS, INC. (US) 2023-05-19 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 (2 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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT CHRNB2 4567/4885CHRNA3 4654/4885CHRNA4 4773/4885
US-20240018162-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF TTK, HIPK1, CLK1 CHRNB2 3883/4885CHRNA3 4418/4885CHRNA4 4639/4885

“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.