SCHEMBL18347163

SCHEMBL18347163

CCCCN(CCCC)Cc1ccc(N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 1.00
▸ HRH3 Q9Y5N1 2/20 0.53
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ SCN1A P35498 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ SCN2A Q99250 1/20 0.47
▸ SCN3A Q9NY46 1/20 0.47
▸ BCHE P06276 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1206593 0.88 MAPT (0.78) MAPTHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL11778606 0.87 MAPT (0.76) MAPT
SCHEMBL19300121 0.84 MAPT (0.72) MAPTHRH3LMNACYP1A2CHRM2
SCHEMBL11780095 0.84 MAPT (0.71) MAPT
SCHEMBL16421915 0.83 MAPT (0.71) MAPTHRH3BCHEKDM4EALDH1A1
SCHEMBL7130261 0.83 MAPT (0.70) MAPTHRH3KCNH2
SCHEMBL7932030 0.82 MAPT (0.70) MAPTLMNACYP1A2CHRM2CYP3A4
SCHEMBL28783183 0.82 MAPT (0.69) MAPTHRH3KCNH2BCHEKDM4E
SCHEMBL9166930 0.81 MAPT (0.68) MAPTHRH3KCNH2
SCHEMBL7120513 0.81 MAPT (0.68) MAPTHRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
US-9902740-B2 Macrocyclic benzodiazepine dimers, conjugates thereof, preparation and uses BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US disclosed
US-20170260205-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES BRISTOL-MYERS SQUIBB COMPANY 2017-09-14 — — US disclosed
US-9688694-B2 Macrocyclic benzodiazepine dimers, conjugates thereof, preparation and uses BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 — — US disclosed
US-20160376288-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES BRISTOL-MYERS SQUIBB COMPANY 2016-12-29 — — 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 (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-20170260205-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES GABRA1, GABRA2, GABRA3 MAPT 1534/4885HRH3 560/4885LMNA 2469/4885
US-20160376288-A1 MACROCYCLIC BENZODIAZEPINE DIMERS, CONJUGATES THEREOF, PREPARATION AND USES GABRA1, GABRA2, GABRA3 MAPT 1534/4885HRH3 560/4885LMNA 2469/4885

“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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