SCHEMBL10373770

SCHEMBL10373770

Cc1cccc(N2CC2)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.74
▸ KCNH2 Q12809 3/20 0.70
▸ MAPT P10636 3/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ DHFR P00374 2/20 0.57
▸ HTR7 P34969 1/20 0.55
▸ C1S P09871 1/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ADRA2C P18825 1/20 0.53
▸ NOTUM Q6P988 1/20 0.53
▸ NPC1 O15118 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL11103700 1.00 ADRB1 (0.74) ADRB1KCNH2MAPTRAB9AALDH1A1
SCHEMBL11096302 0.94 KCNH2 (0.73) ADRB1KCNH2MAPTRAB9AALDH1A1
SCHEMBL7924167 0.92 KCNH2 (0.67) ADRB1KCNH2MAPTRAB9AALDH1A1
SCHEMBL8264176 0.91 ADRB1 (0.69) ADRB1KCNH2MAPTRAB9AALDH1A1
SCHEMBL12991 0.91 ADRB1 (0.69) ADRB1KCNH2MAPTRAB9AALDH1A1
SCHEMBL5043022 0.90 ADRB1 (0.62) ADRB1KCNH2MAPTRAB9AALDH1A1
SCHEMBL11211650 0.90 ADRB1 (0.62) ADRB1KCNH2MAPTRAB9AALDH1A1
SCHEMBL17281442 0.89 ADRB1 (0.67) ADRB1KCNH2MAPTRAB9AALDH1A1
SCHEMBL3307690 0.89 ADRB1 (0.67) ADRB1KCNH2MAPTRAB9AALDH1A1
Hydrochloric Acid SCHEMBL27827352 0.89 ADRB1 (0.67) ADRB1KCNH2MAPTRAB9AALDH1A1

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-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 — — US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 — — US disclosed
EP-0251011-B1 INDOLYL PROPIONIC ACIDS BAYER AG (DE) 1990-10-24 — — EP disclosed
US-4843091-A Indolylpropionic acids, compositions of, and use thereof to inhibit thrombocyte aggregation BAYER AKTIENGESELLSCHAFT (DE) 1989-06-27 — — US disclosed
EP-0251011-A1 Indolyl propionic acids BAYER AG (DE) 1988-01-07 — — EP disclosed
US-4477635-A Polymeric triarylmethane dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-16 — — 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-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 ADRB1 3674/4885KCNH2 4572/4885MAPT 2244/4885

“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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