SCHEMBL27246576

SCHEMBL27246576

O=c1[nH]c2ccccc2n1CCCCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 12/20 0.78
▸ HTR1A P08908 4/20 0.75
▸ ABCB11 O95342 1/20 0.68
▸ ADRA2A P08913 1/20 0.68
▸ ADORA3 P0DMS8 1/20 0.68
▸ CHRM1 P11229 1/20 0.68
▸ DRD1 P21728 1/20 0.68
▸ TBXA2R P21731 1/20 0.68
▸ SLC6A4 P31645 1/20 0.68
▸ ADRA1A P35348 1/20 0.68
▸ OPRM1 P35372 1/20 0.68
▸ DRD3 P35462 1/20 0.68
▸ KCNH2 Q12809 1/20 0.68
▸ P2RX7 Q99572 2/20 0.58
▸ LMNA P02545 1/20 0.57
▸ DRD2 P14416 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ HTR6 P50406 1/20 0.56

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
SCHEMBL678268 0.92 HTR1A (0.78) HTR7HTR1AABCB11ADRA2AADORA3
SCHEMBL8943053 0.89 HTR1A (0.86) HTR7HTR1AABCB11ADRA2AADORA3
SCHEMBL8121534 0.88 HTR1A (0.88) HTR7HTR1AABCB11ADRA2AADORA3
SCHEMBL12124676 0.87 HTR7 (0.82) HTR7HTR1A
SCHEMBL27031059 0.87 HTR7 (0.84) HTR7HTR1AADORA3CHRM1SLC6A4
SCHEMBL8135691 0.86 HTR7 (1.00) HTR7HTR1AABCB11ADRA2AADORA3
SCHEMBL27031076 0.86 HTR7 (0.83) HTR7HTR1AP2RX7LMNADRD2
SCHEMBL8121051 0.85 HTR1A (0.88) HTR7HTR1AABCB11ADRA2AADORA3
SCHEMBL27246583 0.83 HTR7 (0.68) HTR7HTR1AABCB11ADRA2AADORA3
SCHEMBL27031058 0.82 HTR7 (0.76) HTR7HTR1AP2RX7LMNADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199555-A1 APPLICATIONS OF BIASED LIGANDS OF THE SEROTONIN 5-HT7 RECEPTOR FOR THE TREATMENT OF PAIN, MULTIPLE SCLEROSIS AND THE CONTROL OF THERMOREGULATION Université d'Orléans (FR) 2024-06-20 — — US disclosed
EP-4308119-A1 <SUP2/>? <SUB2/>?7?APPLICATIONS OF BIASED LIGANDS OF THE SEROTONIN 5-HTRECEPTOR FOR THE TREATMENT OF PAIN, MULTIPLE SCLEROSIS AND THE CONTROL OF THERMOREGULATION Centre National de la Recherche Scientifique (FR) 2024-01-24 — — EP disclosed
WO-2022195102-A1 APPLICATIONS OF BIASED LIGANDS OF THE SEROTONIN 5-HT7 RECEPTOR FOR THE TREATMENT OF PAIN, MULTIPLE SCLEROSIS AND THE CONTROL OF THERMOREGULATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-09-22 — — 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-20240199555-A1 APPLICATIONS OF BIASED LIGANDS OF THE SEROTONIN 5-HT7 RECEPTOR FOR THE TREATMENT OF PAIN, MULTIPLE SCLEROSIS AND THE CONTROL OF THERMOREGULATION HTR7, HTR1A, CNR1 HTR7 1/4885HTR1A 2/4885ABCB11 2145/4885

“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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