SCHEMBL20964530

SCHEMBL20964530

Cc1cccc(N2CCN(C(=O)C3C=CC=C3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 2/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ GPR119 Q8TDV5 1/20 0.51
▸ ADAM10 O14672 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ NOTUM Q6P988 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.45

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
SCHEMBL20965418 0.84 DRD2 (0.47) ALDH1A1MAPTCA12CA1CA2
SCHEMBL20964685 0.84 HTR1A (0.62) ALDH1A1MAPTRAB9ACA12CA1
SCHEMBL20964581 0.80 POLB (0.70) ALDH1A1MAPTRAB9ALMNAGAA
SCHEMBL8230032 0.79 ALDH1A1 (0.61) ALDH1A1MAPTRAB9ACA12CA1
SCHEMBL630715 0.79 ALDH1A1 (0.66) ALDH1A1MAPTRAB9ACA12CA1
SCHEMBL10501035 0.78 ALDH1A1 (0.60) ALDH1A1MAPTRAB9ACA12CA1
SCHEMBL3095131 0.78 NOTUM (0.63) ALDH1A1MAPTRAB9ACA12CA1
SCHEMBL11103700 0.76 ADRB1 (0.74) ALDH1A1MAPTRAB9ACA12CA1
SCHEMBL10373770 0.76 ADRB1 (0.74) ALDH1A1MAPTRAB9ACA12CA1
SCHEMBL3103335 0.76 NOTUM (0.60) ALDH1A1MAPTRAB9ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-12-01 — — US disclosed
US-20190127361-A1 Therapeutic Compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-05-02 — — 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-20190127361-A1 Therapeutic Compounds SDHA, SLC10A1, SERPINC1 ALDH1A1 141/4885MAPT 1626/4885RAB9A 426/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 ALDH1A1 870/4885MAPT 4673/4885RAB9A 2041/4885

“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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