SCHEMBL19689047

SCHEMBL19689047

COc1ccccc1C1CCCCN1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
HTR2C P28335 2/20 0.54
TACR1 P25103 3/20 0.52
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
HSD11B1 P28845 1/20 0.47
PDCD1LG2 Q9BQ51 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
PDE10A Q9Y233 1/20 0.42
POLB P06746 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL29589447 0.95 MEN1 (0.65) MEN1KMT2AHTR2CTACR1CHRNB4
SCHEMBL23323077 0.95 MEN1 (0.65) MEN1KMT2AHTR2CTACR1CHRNB4
SCHEMBL469013 0.95 MEN1 (0.65) MEN1KMT2AHTR2CTACR1CHRNB4
SCHEMBL25247513 0.83 ATM (0.45) MEN1KMT2AHTR2CTACR1POLB
SCHEMBL25238785 0.83 ATM (0.45) MEN1KMT2AHTR2CTACR1POLB
SCHEMBL25289106 0.83 ATM (0.45) MEN1KMT2AHTR2CTACR1POLB
Hydrochloric Acid SCHEMBL31648321 0.81 KMT2A (0.57) MEN1KMT2AHTR2CTACR1CHRNB4
SCHEMBL24168763 0.81 MEN1 (0.54) MEN1KMT2AHTR2CTACR1
SCHEMBL22720995 0.81 MEN1 (0.60) MEN1KMT2AHTR2CTACR1CHRNB4
SCHEMBL31648821 0.81 MEN1 (0.60) MEN1KMT2AHTR2CTACR1CHRNB4

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-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 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-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS BRD4, BRD3, BRDT MEN1 3579/4885KMT2A 253/4885HTR2C 3194/4885
US-10752640-B2 Compounds active towards bromodomains BRD4, BRD3, BRDT MEN1 3579/4885KMT2A 253/4885HTR2C 3194/4885

“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.