SCHEMBL6896705

SCHEMBL6896705

CCc1ccccc1N(CC)S(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ESR1 P03372 3/20 0.36
MGLL Q99685 1/20 0.36
MEN1 O00255 1/20 0.36
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34

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
SCHEMBL19337102 0.81 ESR1 (0.40) PTGER1LMNAALDH1A1KMT2AHSD17B10
SCHEMBL19337065 0.81 ALDH1A1 (0.47) LMNAALDH1A1KMT2AHSD17B10ESR1
SCHEMBL9822673 0.79 LMNA (0.42) PTGER1LMNAALDH1A1KMT2AHSD17B10
SCHEMBL8020313 0.73 MGLL (0.42) LMNAALDH1A1MGLLGABRA1GABRB2
SCHEMBL462452 0.73 AR (0.49) LMNAALDH1A1KMT2ATSHRMGLL
SCHEMBL3703551 0.72 MGLL (0.45) LMNATSHRMAPK1MGLLGABRA1
SCHEMBL30901799 0.72 MGLL (0.45) LMNATSHRMAPK1MGLLGABRA1
Hydrochloric Acid SCHEMBL5510044 0.71 AR (0.47) LMNAALDH1A1KMT2ATSHRMGLL
SCHEMBL2495979 0.71 MGLL (0.41) LMNAALDH1A1KMT2ATSHRMAPK1
SCHEMBL5698455 0.71 TSHR (0.53) LMNAALDH1A1KMT2AHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683099-B2 FOR THERAPY OF ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES PHARMACIA CORPORATION 2004-01-27 US disclosed
US-6677375-B2 TREATING CARDIOVASCULAR DISEASES PHARMACIA CORPORATION 2004-01-13 US disclosed
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-06-26 US disclosed
US-20030109528-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-06-12 US disclosed
US-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-06-05 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 (3 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-20030105100-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT PTGER1 2023/4885LMNA 1614/4885ALDH1A1 2277/4885
US-20030109528-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT PTGER1 2023/4885LMNA 1614/4885ALDH1A1 2277/4885
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT PTGER1 2023/4885LMNA 1614/4885ALDH1A1 2277/4885

“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.