SCHEMBL6844252

SCHEMBL6844252

CCCc1nc2ccccc2n1CC(O)CN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
ABCB1 P08183 2/20 0.46
HTR1A P08908 2/20 0.45
DRD2 P14416 2/20 0.45
HTR7 P34969 2/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6839523 0.85 MAPT (0.57) MAPTLMNAHTTSMN1; SMN2ABCB1
SCHEMBL6844237 0.82 TSHR (0.56) MAPTLMNASMN1; SMN2TP53ABCB1
SCHEMBL4149145 0.76 LMNA (0.79) MAPTLMNAHTTSMN1; SMN2TSHR
SCHEMBL6965271 0.75 HTR1A (0.48) MAPTLMNAABCB1HTR1ADRD2
SCHEMBL6846647 0.75 DRD2 (0.53) MAPTLMNAABCB1DRD2TSHR
SCHEMBL13875129 0.74 MEN1 (0.62) MAPTLMNASMN1; SMN2ABCB1HTR1A
SCHEMBL8339766 0.73 TSHR (0.62) MAPTLMNASMN1; SMN2TP53THRB
SCHEMBL4151775 0.72 GRM2 (0.81) MAPTLMNAHTTSMN1; SMN2DRD2
SCHEMBL29710212 0.72 ATM (0.61) MAPTLMNAHTTSMN1; SMN2TP53
SCHEMBL4305298 0.71 GRM2 (0.58) MAPTLMNAHTTSMN1; SMN2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775118-B1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER (US) 2003-06-04 EP claimed
US-20040116443-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC 2004-06-17 US disclosed
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2003-08-21 US disclosed
EP-0775118-B1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER (US) 2003-06-04 EP disclosed
US-6548502-B2 Preventing disorder selected from pathological gambling, attention deficit disorder with hyperactivity disorder, substance addiction such as drug and alcohol and sex in a mammals by administering pyrido(1,2-a) pyrazine derivatives PFIZER INC 2003-04-15 US disclosed
US-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders PFIZER INC. 2002-04-25 US disclosed
EP-1177792-A2 Dopamine D4 Ligands for the treatment of novelty-seeking disorders Pfizer Products Inc. (US) 2002-02-06 EP disclosed
EP-0775118-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-05-28 EP disclosed
WO-1996004250-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1996-02-15 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 (2 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-20020049209-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 MAPT 1380/4885LMNA 4884/4885HTT 1366/4885
US-20030158208-A1 Dopamine D4 ligands for the treatment of novelty-seeking disorders SLC6A3, DRD4, DRD2 MAPT 1380/4885LMNA 4884/4885HTT 1366/4885

“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.