SCHEMBL703967

SCHEMBL703967

O=CC1(N2CCNCC2)CCCC1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.32
TSHR P16473 2/20 0.32
SLC6A11 P48066 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL699776 0.86 ALDH1A1 (0.30)
SCHEMBL700682 0.69 TSHR (0.46) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL3712658 0.66 TSHR (0.40) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL27612183 0.61
SCHEMBL27137351 0.60 TSHR (0.36) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL547691 0.60 HSD11B1 (0.32) TSHRLMNA
SCHEMBL1033600 0.60 TSHR (0.37) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL4772549 0.60 SLC6A1 (0.41) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL27776283 0.59
SCHEMBL1900245 0.59 CA2 (0.37) TSHRCHRNB2CHRNA3CHRNA4CHRNB3

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-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT SLC6A1 3261/4885TSHR 2157/4885SLC6A11 3648/4885

“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.