SCHEMBL15344921

SCHEMBL15344921

CCC(CC)N1CCN(c2nccc(C)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SORD Q00796 3/20 0.52
▸ OGA O60502 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.46
▸ SLC6A7 Q99884 1/20 0.45
▸ ACHE P22303 2/20 0.42
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL15344920 0.83 SORD (0.59) SORDOGAHRH3SLC6A7ACHE
SCHEMBL15341937 0.82 HRH3 (0.44) SORDOGAHRH3ACHE
SCHEMBL15344948 0.80 SORD (0.52) SORDOGASLC6A7ACHEKDM4E
SCHEMBL9488628 0.77 SORD (0.56) SORDOGAHRH3SLC6A7ACHE
SCHEMBL13806030 0.77 SORD (0.55) SORDOGASLC6A7KDM4EALDH1A1
SCHEMBL7904079 0.77 SORD (0.55) SORDOGASLC6A7ACHEKDM4E
SCHEMBL18228454 0.77 SORD (0.55) SORDOGASLC6A7ACHEKDM4E
SCHEMBL15344974 0.77 SORD (0.53) SORDOGASLC6A7ACHEKDM4E
Hydrochloric Acid SCHEMBL10410805 0.76 SORD (0.55) SORDOGAHRH3SLC6A7ACHE
SCHEMBL12597157 0.75 KDM4E (0.55) SORDOGASLC6A7ACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 — — EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 — — US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 — — US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 — — 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 (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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 SORD 265/4885OGA 1700/4885HRH3 2143/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 SORD 265/4885OGA 1700/4885HRH3 2143/4885

“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.

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