SCHEMBL24352612

SCHEMBL24352612

c1ccc([C@@H]2CNCCN2c2ncc3ccccc3n2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ SLC6A4 P31645 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HTR2C P28335 4/20 0.35
▸ HTR2A P28223 3/20 0.35
▸ HTR2B P41595 3/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ PDE10A Q9Y233 7/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL20993629 1.00 HTR3A (0.41) HTR3AHRH4SLC6A4CYP2D6SLC6A2
SCHEMBL20993537 1.00 HTR3A (0.41) HTR3AHRH4SLC6A4CYP2D6SLC6A2
SCHEMBL12807031 0.76 SLC6A2 (0.49) HTR3ASLC6A4CYP2D6SLC6A2SLC6A3
SCHEMBL27911852 0.74 HTT (0.47) HRH4HTR2CHTR2AHTR2BKDM4E
SCHEMBL16053272 0.73 HTR3A (0.41) HTR3ASLC6A4CYP2D6SLC6A2SLC6A3
SCHEMBL6110760 0.73 HTR2C (0.38) SLC6A4CYP2D6SLC6A2SLC6A3HTR2C
SCHEMBL10623387 0.71 SLC6A2 (0.47) HTR3AHRH4SLC6A4CYP2D6SLC6A2
SCHEMBL31232802 0.71 PLD1 (0.42) HTR2CHTR2AHTR2BALDH1A1HTR1A
SCHEMBL2900748 0.71 PLD1 (0.42) HTR2CHTR2AHTR2BKDM4EALDH1A1
SCHEMBL9984343 0.71 HTR2A (0.39) SLC6A4CYP2D6SLC6A2SLC6A3HTR2C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-04-21 — — 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-20220119400-A1 QUINAZOLINE AND INDOLE COMPOUNDS TO TREAT MEDICAL DISORDERS CFB, TFPI, MAOB HTR3A 56/4885HRH4 69/4885SLC6A4 251/4885

“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.

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