SCHEMBL12311985

SCHEMBL12311985

COc1cccc2c1C(C)NCC2

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.53
TSHR P16473 1/20 0.53
HTR2C P28335 1/20 0.48
CYP2D6 P10635 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 1/20 0.48
DRD2 P14416 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 3/20 0.43

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
SCHEMBL25954048 0.83 HTR1A (0.41) DRD2HTR1A
SCHEMBL29118108 0.82 HTR2C (0.47) MAOATSHRHTR2CDRD2MEN1
SCHEMBL29885479 0.79 MAOA (0.54) MAOATSHRHTR2CCYP2D6HSD17B10
Hydrochloric Acid SCHEMBL2792263 0.78 MEN1 (0.59) HTR2CMEN1KMT2A
Hydrochloric Acid SCHEMBL2796822 0.78 PRCP (0.54) MAOAHTR2CDRD2MEN1KMT2A
Hydrochloric Acid SCHEMBL2796024 0.78 PRCP (0.54) MAOAHTR2CDRD2MEN1KMT2A
SCHEMBL7818489 0.77 HTR2C (0.42) MAOATSHRHTR2CHSD17B10DRD2
SCHEMBL19684822 0.77 HTR2C (0.42) MAOATSHRHTR2CHSD17B10DRD2
SCHEMBL19684816 0.77 HTR2C (0.42) MAOATSHRHTR2CHSD17B10DRD2
SCHEMBL2795781 0.77 HTR1A (0.50) HTR2CDRD2HTR1A

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-8263607-B2 1-substituted tetrahydroisoquinoline compound ASTELLAS PHARMA INC. (JP) 2012-09-11 US disclosed
US-20100168154-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 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 (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-20100168154-A1 1-SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND CACNA1S, CACNA1E, CACNA1B MAOA 606/4885TSHR 3390/4885HTR2C 56/4885

“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.