SCHEMBL5378782

SCHEMBL5378782

CN(C)CCCN1CCN(C2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.52
CCR3 P51677 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MAPT P10636 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
ACHE P22303 2/20 0.49
CHRM4 P08173 1/20 0.48
MC4R P32245 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL4062103 0.85 RECQL (0.60) RECQLSMN1; SMN2TSHRCCR3SIGMAR1
SCHEMBL3709310 0.83 RECQL (0.70) RECQLSMN1; SMN2TSHRCCR3SIGMAR1
Hydrochloric Acid SCHEMBL3706762 0.82 RECQL (0.68) RECQLSMN1; SMN2TSHRCCR3SIGMAR1
SCHEMBL3956954 0.81 MC4R (0.69) RECQLSMN1; SMN2TSHRCCR3MAPT
SCHEMBL13432148 0.81 MC4R (0.69) RECQLSMN1; SMN2TSHRSIGMAR1DRD2
SCHEMBL3017800 0.81 ACHE (0.55) RECQLSMN1; SMN2TSHRSIGMAR1ACHE
SCHEMBL8997893 0.80 CCR3 (0.56) CCR3SIGMAR1MC4R
SCHEMBL3961457 0.79 SMN1; SMN2 (0.66) RECQLSMN1; SMN2TSHRSIGMAR1DRD2
SCHEMBL10745029 0.79 MC4R (0.65) CCR3SIGMAR1DRD4ACHEMC4R
SCHEMBL4797625 0.79 SIGMAR1 (0.69) RECQLSMN1; SMN2TSHRCCR3SIGMAR1

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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 RECQL 3091/4885SMN1; SMN2 3515/4885TSHR 395/4885

“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.