SCHEMBL27214580

SCHEMBL27214580

CNC[C@@H]1CCOc2c(-c3ccnc(C)c3)cccc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 13/20 0.37
HTR1A P08908 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KDM6B O15054 5/20 0.34
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
GPR142 Q7Z601 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL27230891 1.00 KDM4C (0.37) KDM4CHTR1ABRD4CREBBPLRRK2
SCHEMBL27214614 1.00 KDM4C (0.37) KDM4CHTR1ABRD4CREBBPLRRK2
SCHEMBL27214577 0.87 KDM4C (0.43) KDM4CKDM6BMAPK1
SCHEMBL27214646 0.87 KDM4C (0.43) KDM4CKDM6BMAPK1
SCHEMBL27230942 0.87 KDM4C (0.43) KDM4CKDM6BMAPK1
SCHEMBL27214618 0.86 BRD4 (0.36) KDM4CBRD4CREBBPLRRK2MAPK1
SCHEMBL27214615 0.86 BRD4 (0.36) KDM4CBRD4CREBBPLRRK2MAPK1
SCHEMBL27230897 0.86 BRD4 (0.36) KDM4CBRD4CREBBPLRRK2MAPK1
SCHEMBL30782844 0.85 KDM4C (0.38) KDM4CHTR1AKDM6BP2RX7
SCHEMBL30782834 0.85 KDM4C (0.38) KDM4CHTR1AKDM6BP2RX7

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-20240150330-A1 CHROMANS AND BENZOFURANS AS 5-HT1A AND TAAR1 AGONISTS SUNOVION PHARMACEUTICALS INC. (US) 2024-05-09 US disclosed
WO-2022217232-A1 CHROMANS AND BENZOFURANS AS 5-HT1A AND TAAR1 AGONISTS SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 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 (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-20240150330-A1 CHROMANS AND BENZOFURANS AS 5-HT1A AND TAAR1 AGONISTS TAAR1, HTR1A, HTR1F KDM4C 3293/4885HTR1A 2/4885BRD4 931/4885

“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.