SCHEMBL20964547

SCHEMBL20964547

O=C(C1C=CC=C1)N1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.56
▸ AKR1C3 P42330 1/20 0.55
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MAPT P10636 2/20 0.52
▸ POLB P06746 2/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ GRM5 P41594 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NOTUM Q6P988 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ USP2 O75604 1/20 0.46

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
SCHEMBL20964593 0.85 KMT2A (0.55) GAAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20964662 0.84 SMN1; SMN2 (0.60) GAAMEN1KMT2AMAPTPOLB
SCHEMBL20964672 0.78 MAPT (0.66) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL17276412 0.77 AKR1C3 (0.64) GAAAKR1C3MEN1KMT2AMAPT
SCHEMBL2857040 0.77 AKR1C3 (0.64) GAAAKR1C3MEN1KMT2AMAPT
SCHEMBL20964570 0.77 MEN1 (0.62) AKR1C3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20964685 0.77 HTR1A (0.62) AKR1C3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20964686 0.76 KMT2A (0.62) GAAMEN1KMT2AMAPTPOLB
SCHEMBL9565829 0.76 AKR1C3 (0.62) GAAAKR1C3MEN1KMT2AMAPT
SCHEMBL6716320 0.76 AKR1C3 (0.62) GAAAKR1C3MEN1KMT2AMAPT

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 GAA 57/4885AKR1C3 342/4885MEN1 179/4885
US-10851096-B2 Aryl and heteroaryl amides for use as anti-proliferative, anti-thrombotic, and anti-viral agents SERPINC1, F12, RPL35 GAA 288/4885AKR1C3 1717/4885MEN1 2387/4885

“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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