SCHEMBL4883085

SCHEMBL4883085

S=C(Nc1ccc(Cl)cc1)N1CCC2(CCc3ccccc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.64
TDO2 P48775 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 4/20 0.54
HSD11B1 P28845 4/20 0.53
SIGMAR1 Q99720 5/20 0.50
CYP2C19 P33261 2/20 0.48
RBP4 P02753 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL4883090 1.00 IDO1 (0.64) IDO1TDO2SMN1; SMN2LMNAHSD11B1
SCHEMBL4874554 0.80 SMN1; SMN2 (0.69) SMN1; SMN2LMNACYP2C19NPSR1ALDH1A1
SCHEMBL4882042 0.74 TAS1R3 (0.67) SMN1; SMN2LMNANPSR1ALDH1A1HTT
SCHEMBL349409 0.73 HSD11B1 (0.87) IDO1TDO2HSD11B1ALDH1A1CYP2D6
SCHEMBL4885388 0.73 NPY5R (0.58) SMN1; SMN2LMNAHSD11B1SIGMAR1CYP2C19
SCHEMBL4681025 0.73 HSD11B1 (0.50) IDO1TDO2HSD11B1SIGMAR1CYP2C19
SCHEMBL4681026 0.73 HSD11B1 (0.50) IDO1TDO2HSD11B1SIGMAR1CYP2C19
SCHEMBL8259094 0.73 HSD11B1 (0.50) IDO1TDO2HSD11B1SIGMAR1CYP2C19
SCHEMBL4876958 0.72 SMN1; SMN2 (0.50) SMN1; SMN2LMNACYP2C19NPSR1ALDH1A1
SCHEMBL4876953 0.72 SMN1; SMN2 (0.50) SMN1; SMN2LMNACYP2C19NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 IDO1 3752/4885TDO2 3569/4885SMN1; SMN2 2757/4885

“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.