SCHEMBL17680850

SCHEMBL17680850

O=C(c1cc(Br)cnc1F)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 16/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.34
▸ CNR2 P34972 1/20 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
SCHEMBL22369098 0.81 OPRK1 (0.32) OPRK1ABL1CNR2
SCHEMBL26023823 0.77 DGAT1 (0.36) OPRK1ABL1ALDH1A1
SCHEMBL1516793 0.77 NAPRT (0.46) OPRK1ALDH1A1
SCHEMBL29498804 0.77 NAPRT (0.46) OPRK1ALDH1A1
SCHEMBL20504270 0.77 CCR1 (0.36) OPRK1ABL1
SCHEMBL25335179 0.75 DGAT1 (0.52) ALDH1A1
SCHEMBL21815554 0.75 ALDH1A1 (0.35) OPRK1ALDH1A1
SCHEMBL9648890 0.75 OPRK1 (0.42) OPRK1ALDH1A1TSHR
SCHEMBL31356591 0.75 OPRK1 (0.42) OPRK1ALDH1A1TSHR
SCHEMBL18050754 0.75 HSP90AB1 (0.36) OPRK1ALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 — — EP disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 — — US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 — — 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-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 OPRK1 2898/4885ABL1 390/4885ALDH1A1 1533/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 OPRK1 2898/4885ABL1 390/4885ALDH1A1 1533/4885

“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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