SCHEMBL3963783

SCHEMBL3963783

CC1(N2CCC3(CCNCC3)CC2)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.41
USP2 O75604 5/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 5/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL30724390 0.84 CYP2D6 (0.37) CYP2D6USP2CYP1A2TSHRCYP3A4
SCHEMBL3629869 0.81 CCR5 (0.33) CYP1A2
SCHEMBL1133674 0.79 CYP2D6 (0.34) CYP2D6USP2CYP1A2TSHRCYP3A4
SCHEMBL2084825 0.79 PHGDH (0.32)
SCHEMBL16834077 0.79 CCR5 (0.35) USP2CYP1A2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL31180099 0.77 CCR5 (0.34) USP2CYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL20137491 0.77 CCR5 (0.34) USP2CYP1A2SMN1; SMN2
SCHEMBL522388 0.76 ALDH1A1 (0.36) CYP2C9ALDH1A1MEN1KMT2A
SCHEMBL71979 0.75 SOS1 (0.33) ALDH1A1
SCHEMBL3844090 0.75 KMT2A (0.33) KMT2A

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-20090093501-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-04-09 US disclosed
WO-2009037168-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-26 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-20090093501-A1 Heterocyclic antiviral compounds CCR5, CCR1, CCR2 CYP2D6 925/4885USP2 4041/4885CYP1A2 489/4885

“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.