SCHEMBL18860342

SCHEMBL18860342

O=C(NC1CCCC12CCN(Cc1ccccc1)CC2)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.47
▸ ACKR3 P25106 1/20 0.47
▸ SLC6A12 P48065 3/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ SLC6A13 Q9NSD5 1/20 0.47
▸ CACNA1I Q9P0X4 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ SIGMAR1 Q99720 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TMEM97 Q5BJF2 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TACR1 P25103 1/20 0.46
▸ MAPT P10636 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
SCHEMBL18860333 0.91 KCNH2 (0.57) DRD4SIGMAR1TACR1KCNH2SLC6A2
SCHEMBL18860275 0.90 DRD4 (0.54) MCHR1SLC6A12DRD4SIGMAR1KMT2A
SCHEMBL18838396 0.88 KCNH2 (0.48) MCHR1SLC6A12DRD4SLC6A13CACNA1I
SCHEMBL18860332 0.88 KMT2A (0.54) MCHR1ACKR3SLC6A12DRD4SLC6A13
SCHEMBL18838330 0.84 KCNH2 (0.59) DRD4SIGMAR1TACR1KCNH2SLC6A2
SCHEMBL18860344 0.82 KCNH2 (0.46) CACNA1ICYP2D6KCNH2
SCHEMBL18860337 0.80 KCNH2 (0.59) CACNA1ICYP2D6KCNH2
SCHEMBL18860282 0.79 HTR2A (0.54) DRD4SIGMAR1KMT2AMEN1KCNH2
SCHEMBL18860277 0.79 DRD4 (0.51) DRD4SIGMAR1KMT2AMEN1KCNH2
SCHEMBL18838376 0.79 KCNH2 (0.60) DRD4SIGMAR1KMT2AMEN1KCNH2

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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 — — US disclosed
WO-2017083867-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI, INC. (US) 2017-05-18 — — 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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H MCHR1 2757/4885ACKR3 2578/4885SLC6A12 476/4885

“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.

Send feedback